4-methoxy-N-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenecarboximidate

Systemtic Name: 4-methoxy-N-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenecarboximidate Openeye Name: 4-methoxy-N-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenecarboximidate CAS Name: 4-methoxy-N-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenecarboximidate IUPAC Name: 4-methoxy-N-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenecarboximidate Traditional Name: 4-methoxy-N-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenecarboximidate Formula: C15H12N5O2S- MolecularWeight: 326.35308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=NN2C(=NNC2=S)C3=CC=NC=C3)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=NN2C(=NNC2=S)C3=CC=NC=C3)[O-]

InChI

InChI=1S/C15H13N5O2S/c1-22-12-4-2-11(3-5-12)14(21)19-20-13(17-18-15(20)23)10-6-8-16-9-7-10/h2-9H,1H3,(H,18,23)(H,19,21)/p-1