2-[4-methyl-5-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-methyl-5-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-methyl-5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[4-methyl-5-[[2-oxo-2-(1-phenylethylamino)ethyl]thio]-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[4-methyl-5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[5-[[2-keto-2-(1-phenylethylamino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-15(16-9-5-3-6-10-16)22-20(28)14-29-21-25-24-18(26(21)2)13-19(27)23-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,22,28)(H,23,27)