[4-[(3-methylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(3-methylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]phenyl] pyridine-4-carboxylate Openeye Name: [4-[(3-methylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[[3-(methylthio)-1,2,4-triazol-4-yl]iminomethyl]phenyl] ester IUPAC Name: [4-[(3-methylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[[3-(methylthio)-1,2,4-triazol-4-yl]iminomethyl]phenyl] ester Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=CN1N=CC2=CC=C(C=C2)OC(=O)C3=CC=NC=C3

Isomeric SMILES

CSC1=NN=CN1N=CC2=CC=C(C=C2)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C16H13N5O2S/c1-24-16-20-18-11-21(16)19-10-12-2-4-14(5-3-12)23-15(22)13-6-8-17-9-7-13/h2-11H,1H3