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

Systemtic Name: [4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC(=O)C3=CN=CC=C3)OC

Isomeric SMILES

CCC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OC(=O)C3=CN=CC=C3)OC

InChI

InChI=1S/C18H17N5O3S/c1-3-16-21-22-18(27)23(16)20-10-12-6-7-14(15(9-12)25-2)26-17(24)13-5-4-8-19-11-13/h4-11H,3H2,1-2H3,(H,22,27)/b20-10+