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

Systemtic Name: [2-oxidanylidene-2-(pyridin-4-ylamino)ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [2-oxo-2-(4-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 [2-oxo-2-(pyridin-4-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyridin-4-ylamino)ethyl] 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-2-(4-pyridylamino)ethyl] ester Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=NC=C3)SC

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=NC=C3)SC

InChI

InChI=1S/C18H17N5O3S/c1-12-21-22-18(27-2)23(12)15-5-3-13(4-6-15)17(25)26-11-16(24)20-14-7-9-19-10-8-14/h3-10H,11H2,1-2H3,(H,19,20,24)