(2-oxidanylidene-2-phenylazanyl-ethyl) 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]acetic acid (2-anilino-2-keto-ethyl) ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-15-22-23-20(24(15)12-16-8-4-2-5-9-16)28-14-19(26)27-13-18(25)21-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,21,25)