1-[3-(4-methylphenyl)carbothioylphenyl]-2-(1H-pyrrol-2-yl)ethanesulfonamide

Systemtic Name: 1-[3-(4-methylphenyl)carbothioylphenyl]-2-(1H-pyrrol-2-yl)ethanesulfonamide Openeye Name: 1-[3-(4-methylbenzenecarbothioyl)phenyl]-2-(1H-pyrrol-2-yl)ethanesulfonamide CAS Name: 1-[3-[(4-methylphenyl)-sulfanylidenemethyl]phenyl]-2-(1H-pyrrol-2-yl)ethanesulfonamide IUPAC Name: 1-[3-(4-methylbenzenecarbothioyl)phenyl]-2-(1H-pyrrol-2-yl)ethanesulfonamide Traditional Name: 1-[3-(4-methylthiobenzoyl)phenyl]-2-(1H-pyrrol-2-yl)ethanesulfonamide Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=CC(=CC=C2)C(CC3=CC=CN3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=CC(=CC=C2)C(CC3=CC=CN3)S(=O)(=O)N

InChI

InChI=1S/C20H20N2O2S2/c1-14-7-9-15(10-8-14)20(25)17-5-2-4-16(12-17)19(26(21,23)24)13-18-6-3-11-22-18/h2-12,19,22H,13H2,1H3,(H2,21,23,24)