2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrol-3-yl]acrylonitrile Formula: C23H18ClN3OS2 MolecularWeight: 451.99152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C=C(C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C=C(C#N)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H18ClN3OS2/c1-14-10-16(15(2)27(14)20-12-17(24)8-9-21(20)28-3)11-18(13-25)29-23-26-19-6-4-5-7-22(19)30-23/h4-12H,1-3H3