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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)acrylonitrile Formula: C22H17N3S2 MolecularWeight: 387.52048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3S2/c1-15-12-17(16(2)25(15)18-8-4-3-5-9-18)13-19(14-23)26-22-24-20-10-6-7-11-21(20)27-22/h3-13H,1-2H3