Summary

IMPPAT Phytochemical identifier: IMPHY001833

Phytochemical name: 5,5'-Dicyano-2,2':5',2'-Terthienyl

Synonymous chemical names:
2,2',5,5'-terthienyl

External chemical identifiers:
CID:11500375, SureChEMBL:SCHEMBL498595

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Chemical structure information

SMILES:
N#Cc1ccc(s1)c1ccc(s1)c1ccc(s1)C#N

InChI:
InChI=1S/C14H6N2S3/c15-7-9-1-3-11(17-9)13-5-6-14(19-13)12-4-2-10(8-16)18-12/h1-6H

InChIKey:
ZUECXOWARJNKRK-UHFFFAOYSA-N

DeepSMILES:
N#Cccccs5)ccccs5)ccccs5)C#N

Functional groups:
cC#N, csc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1csc(-c2ccc(-c3cccs3)s2)c1

Scaffold Graph/Node level:
C1CSC(C2CCC(C3CCCS3)S2)C1

Scaffold Graph level:
C1CCC(C2CCC(C3CCCC3)C2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Bi- and oligothiophenes

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -0.114

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Chemical structure download