[2-methoxy-4-[(E)-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ethanoate

Systemtic Name: [2-methoxy-4-[(E)-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ethanoate Openeye Name: [2-methoxy-4-[(E)-[3-(3-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate CAS Name: acetic acid [2-methoxy-4-[(E)-[3-(3-pyridinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate Traditional Name: acetic acid [2-methoxy-4-[(E)-[3-(3-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] ester Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CN=CC=C3)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CN=CC=C3)OC

InChI

InChI=1S/C17H15N5O3S/c1-11(23)25-14-6-5-12(8-15(14)24-2)9-19-22-16(20-21-17(22)26)13-4-3-7-18-10-13/h3-10H,1-2H3,(H,21,26)/b19-9+