[2-methoxy-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [2-methoxy-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] pyridine-3-carboxylate Openeye Name: [2-methoxy-4-[(Z)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-methoxy-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-methoxy-4-[(Z)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C=NNC2=S)OC(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\N2C=NNC2=S)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H13N5O3S/c1-23-14-7-11(8-19-21-10-18-20-16(21)25)4-5-13(14)24-15(22)12-3-2-6-17-9-12/h2-10H,1H3,(H,20,25)/b19-8-