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

Systemtic Name: 2-[[4-(2-azanyl-2-oxidanylidene-ethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide Openeye Name: 2-[[4-(2-amino-2-oxo-ethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide CAS Name: 2-[[4-(2-amino-2-oxoethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide IUPAC Name: 2-[[4-(2-amino-2-oxoethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide Traditional Name: 2-[[4-(2-amino-2-keto-ethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC(=O)N)C4CC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC(=O)N)C4CC4

InChI

InChI=1S/C23H25N5O3S/c1-14-8-11-18(31-2)17(12-14)25-22(30)20(15-6-4-3-5-7-15)32-23-27-26-21(16-9-10-16)28(23)13-19(24)29/h3-8,11-12,16,20H,9-10,13H2,1-2H3,(H2,24,29)(H,25,30)