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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]acrylonitrile Formula: C23H19N3S2 MolecularWeight: 401.54706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=C2C)C=C(C#N)SC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=C2C)C=C(C#N)SC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H19N3S2/c1-15-7-6-8-19(11-15)26-16(2)12-18(17(26)3)13-20(14-24)27-23-25-21-9-4-5-10-22(21)28-23/h4-13H,1-3H3