2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C26H25N5O2S MolecularWeight: 471.574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CNC(=C3)C(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CNC(=C3)C(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O2S/c1-18-8-7-11-21(14-18)31-24(19-9-3-2-4-10-19)28-29-26(31)34-17-23(32)20-15-22(27-16-20)25(33)30-12-5-6-13-30/h2-4,7-11,14-16,27H,5-6,12-13,17H2,1H3