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

Systemtic Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(2-oxidanylideneimidazolidin-1-yl)benzamide Openeye Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide CAS Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-3-(2-oxo-1-imidazolidinyl)benzamide IUPAC Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide Traditional Name: 3-(2-ketoimidazolidin-1-yl)-N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C28H28N6O3S MolecularWeight: 528.62532

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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)N5CCNC5=O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)N5CCNC5=O

InChI

InChI=1S/C28H28N6O3S/c1-37-24-12-6-11-23(18-24)34-25(31-32-28(34)38-16-13-20-7-3-2-4-8-20)19-30-26(35)21-9-5-10-22(17-21)33-15-14-29-27(33)36/h2-12,17-18H,13-16,19H2,1H3,(H,29,36)(H,30,35)