N-[1-[[5-(4-methylphenyl)carbothioyl-1H-pyrrol-2-yl]methyl]cyclohexa-2,4-dien-1-yl]methanesulfonamide

Systemtic Name: N-[1-[[5-(4-methylphenyl)carbothioyl-1H-pyrrol-2-yl]methyl]cyclohexa-2,4-dien-1-yl]methanesulfonamide Openeye Name: N-[1-[[5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]methyl]cyclohexa-2,4-dien-1-yl]methanesulfonamide CAS Name: N-[1-[[5-[(4-methylphenyl)-sulfanylidenemethyl]-1H-pyrrol-2-yl]methyl]-1-cyclohexa-2,4-dienyl]methanesulfonamide IUPAC Name: N-[1-[[5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]methyl]cyclohexa-2,4-dien-1-yl]methanesulfonamide Traditional Name: N-[1-[[5-(4-methylthiobenzoyl)-1H-pyrrol-2-yl]methyl]cyclohexa-2,4-dien-1-yl]methanesulfonamide Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=CC=C(N2)CC3(CC=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=CC=C(N2)CC3(CC=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C20H22N2O2S2/c1-15-6-8-16(9-7-15)19(25)18-11-10-17(21-18)14-20(22-26(2,23)24)12-4-3-5-13-20/h3-12,21-22H,13-14H2,1-2H3