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

Systemtic Name: [4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] pyridine-3-carboxylate Openeye Name: [4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C3CC3)OC(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\N2C(=NNC2=S)C3CC3)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C19H17N5O3S/c1-26-16-9-12(10-21-24-17(13-5-6-13)22-23-19(24)28)4-7-15(16)27-18(25)14-3-2-8-20-11-14/h2-4,7-11,13H,5-6H2,1H3,(H,23,28)/b21-10-