[1-oxidanylidene-1-(pyridin-3-ylamino)propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [1-oxidanylidene-1-(pyridin-3-ylamino)propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [1-methyl-2-oxo-2-(3-pyridylamino)ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [1-oxo-1-(3-pyridinylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(pyridin-3-ylamino)propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-keto-1-methyl-2-(3-pyridylamino)ethyl] ester Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CN=CC=C3)SC

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CN=CC=C3)SC

InChI

InChI=1S/C19H19N5O3S/c1-12(17(25)21-15-5-4-10-20-11-15)27-18(26)14-6-8-16(9-7-14)24-13(2)22-23-19(24)28-3/h4-12H,1-3H3,(H,21,25)