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

Systemtic Name: [2-methoxy-4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] pyridine-3-carboxylate Openeye Name: [2-methoxy-4-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-methoxy-4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-methoxy-4-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3)OC(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\N2C(=NNC2=S)C3=CC=CC=C3)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H17N5O3S/c1-29-19-12-15(9-10-18(19)30-21(28)17-8-5-11-23-14-17)13-24-27-20(25-26-22(27)31)16-6-3-2-4-7-16/h2-14H,1H3,(H,26,31)/b24-13-