2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide Openeye Name: N-(1-benzyl-2-oxo-propyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(3-oxo-1-phenylbutan-2-yl)acetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide Traditional Name: N-(1-benzyl-2-keto-propyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N4O3S/c1-14(26)18(12-15-6-4-3-5-7-15)22-19(27)13-29-21-23-20(24-25-21)16-8-10-17(28-2)11-9-16/h3-11,18H,12-13H2,1-2H3,(H,22,27)(H,23,24,25)