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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

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