Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011419

Phytochemical name: 2-Methylidenehydrazono-3-methyl-7-chloro-2,3-dihydrobenzothiazole

Synonymous chemical names:
2-methylidenehydrazono-3-methyl-7-chloro-2,3-dihydrobenzothiazole

External chemical identifiers:
CID:CID_9603807

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Chemical structure information

SMILES:
C=N/N=c/1\sc2c(n1C)cccc2Cl

InChI:
InChI=1S/C9H8ClN3S/c1-11-12-9-13(2)7-5-3-4-6(10)8(7)14-9/h3-5H,1H2,2H3/b12-9-

InChIKey:
KBIXAIUNORCLFE-XFXZXTDPSA-N

DeepSMILES:
C=N/N=c\sccn\5C))cccc6Cl

Functional groups:
C=N/N=c, csc, cn(C)c, cCl

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
N=c1[nH]c2ccccc2s1

Scaffold Graph/Node level:
NC1NC2CCCCC2S1

Scaffold Graph level:
CC1CC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzothiazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -1.699

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Chemical structure download