2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]ethanone Formula: C22H20N2OS2 MolecularWeight: 392.537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H20N2OS2/c1-14-8-10-17(11-9-14)24-15(2)12-18(16(24)3)20(25)13-26-22-23-19-6-4-5-7-21(19)27-22/h4-12H,13H2,1-3H3