N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-3-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: 3-(2-ketopyrrolidino)-N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C29H29N5O3S MolecularWeight: 527.63726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)N5CCCC5=O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)N5CCCC5=O

InChI

InChI=1S/C29H29N5O3S/c1-37-25-13-6-12-24(19-25)34-26(31-32-29(34)38-17-15-21-8-3-2-4-9-21)20-30-28(36)22-10-5-11-23(18-22)33-16-7-14-27(33)35/h2-6,8-13,18-19H,7,14-17,20H2,1H3,(H,30,36)