4-[(Z)-[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate

Systemtic Name: 4-[(Z)-[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: 4-[(Z)-[3-(5-methyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 4-[(Z)-[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 4-[(Z)-[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Traditional Name: 4-[(Z)-[3-(5-methyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C14H11N6O2S- MolecularWeight: 327.34114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NN1)C2=NNC(=S)N2/N=C\C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H12N6O2S/c1-8-6-11(17-16-8)12-18-19-14(23)20(12)15-7-9-2-4-10(5-3-9)13(21)22/h2-7H,1H3,(H,16,17)(H,19,23)(H,21,22)/p-1/b15-7-