2-[1-methyl-2-(methylamino)-4-phenyl-5-(phenylcarbonyl)pyrrol-3-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[1-methyl-2-(methylamino)-4-phenyl-5-(phenylcarbonyl)pyrrol-3-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[5-benzoyl-1-methyl-2-(methylamino)-4-phenyl-pyrrol-3-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[5-benzoyl-1-methyl-2-(methylamino)-4-phenyl-3-pyrrolyl]thio]-1-phenylethanone IUPAC Name: 2-[5-benzoyl-1-methyl-2-(methylamino)-4-phenylpyrrol-3-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[5-benzoyl-1-methyl-2-(methylamino)-4-phenyl-pyrrol-3-yl]thio]-1-phenyl-ethanone Formula: C27H24N2O2S MolecularWeight: 440.55666

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=C(N1C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CNC1=C(C(=C(N1C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O2S/c1-28-27-26(32-18-22(30)19-12-6-3-7-13-19)23(20-14-8-4-9-15-20)24(29(27)2)25(31)21-16-10-5-11-17-21/h3-17,28H,18H2,1-2H3