2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-chloranyl-4,5-dimethoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-chloranyl-4,5-dimethoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-chloro-4,5-dimethoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(2-chloro-4,5-dimethoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-chloro-4,5-dimethoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(2-chloro-4,5-dimethoxy-phenyl)acrylonitrile Formula: C18H13ClN2O2S2 MolecularWeight: 388.89102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)Cl)OC

InChI

InChI=1S/C18H13ClN2O2S2/c1-22-15-8-11(13(19)9-16(15)23-2)7-12(10-20)24-18-21-14-5-3-4-6-17(14)25-18/h3-9H,1-2H3