4-[4-(1,3-dimethylpyrazol-4-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-2-methoxy-phenolate

Systemtic Name: 4-[4-(1,3-dimethylpyrazol-4-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-2-methoxy-phenolate Openeye Name: 4-[4-(1,3-dimethylpyrazol-4-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]-2-methoxy-phenolate CAS Name: 4-[4-(1,3-dimethyl-4-pyrazolyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-2-methoxyphenolate IUPAC Name: 4-[4-(1,3-dimethylpyrazol-4-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-2-methoxyphenolate Traditional Name: 4-[4-(1,3-dimethylpyrazol-4-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]-2-methoxy-phenolate Formula: C14H14N5O2S- MolecularWeight: 316.35826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1N2C(=NNC2=S)C3=CC(=C(C=C3)[O-])OC)C

Isomeric SMILES

CC1=NN(C=C1N2C(=NNC2=S)C3=CC(=C(C=C3)[O-])OC)C

InChI

InChI=1S/C14H15N5O2S/c1-8-10(7-18(2)17-8)19-13(15-16-14(19)22)9-4-5-11(20)12(6-9)21-3/h4-7,20H,1-3H3,(H,16,22)/p-1