(phenylmethyl) 3-[(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)amino]-3-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-[(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)amino]-3-oxidanylidene-propanoate Openeye Name: benzyl 3-[(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)amino]-3-oxo-propanoate CAS Name: 3-[[1-methyl-5-(methylthio)-1,2,4-triazol-3-yl]amino]-3-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)amino]-3-oxopropanoate Traditional Name: 3-keto-3-[[1-methyl-5-(methylthio)-1,2,4-triazol-3-yl]amino]propionic acid benzyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)NC(=O)CC(=O)OCC2=CC=CC=C2)SC

Isomeric SMILES

CN1C(=NC(=N1)NC(=O)CC(=O)OCC2=CC=CC=C2)SC

InChI

InChI=1S/C14H16N4O3S/c1-18-14(22-2)16-13(17-18)15-11(19)8-12(20)21-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,17,19)