3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)propanamide

Systemtic Name: 3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-benzyl-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-31-22-15-9-8-14-21(22)29-24(20-12-6-3-7-13-20)27-28-25(29)32-17-16-23(30)26-18-19-10-4-2-5-11-19/h2-15H,16-18H2,1H3,(H,26,30)