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

Systemtic Name: N-[4-[[5-(4-methylphenyl)carbothioyl-1H-pyrrol-2-yl]methyl]phenyl]methanesulfonamide Openeye Name: N-[4-[[5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]methyl]phenyl]methanesulfonamide CAS Name: N-[4-[[5-[(4-methylphenyl)-sulfanylidenemethyl]-1H-pyrrol-2-yl]methyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[[5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]methyl]phenyl]methanesulfonamide Traditional Name: N-[4-[[5-(4-methylthiobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]methanesulfonamide Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2S2/c1-14-3-7-16(8-4-14)20(25)19-12-11-18(21-19)13-15-5-9-17(10-6-15)22-26(2,23)24/h3-12,21-22H,13H2,1-2H3