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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]acrylonitrile Formula: C22H16ClN3S2 MolecularWeight: 421.96554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3S2/c1-14-10-16(15(2)26(14)18-7-5-6-17(23)12-18)11-19(13-24)27-22-25-20-8-3-4-9-21(20)28-22/h3-12H,1-2H3