N-(2,5-dimethylpyrazol-3-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-(2,5-dimethylpyrazol-3-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(2,5-dimethylpyrazol-3-yl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(2,5-dimethylpyrazol-3-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(2,5-dimethylpyrazol-3-yl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C16H18N6O2S/c1-10-8-13(21(2)20-10)17-14(23)9-22-15(18-19-16(22)25)11-4-6-12(24-3)7-5-11/h4-8H,9H2,1-3H3,(H,17,23)(H,19,25)