[(2R)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [(2R)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [(1R)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [(2R)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [(1R)-2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl] ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OC(C)C(=O)NC2=CC=CC=C2SC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2SC)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-13-18(23-24(22-13)15-9-5-4-6-10-15)20(26)27-14(2)19(25)21-16-11-7-8-12-17(16)28-3/h4-12,14H,1-3H3,(H,21,25)/t14-/m1/s1