[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC=C)OC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3/c1-3-14-22-20(26)15(2)28-21(27)18-23-19(16-10-6-4-7-11-16)25(24-18)17-12-8-5-9-13-17/h3-13,15H,1,14H2,2H3,(H,22,26)/t15-/m0/s1