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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-methylpyrazol-3-yl)propanamide Openeye Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-methylpyrazol-3-yl)propanamide CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-methyl-3-pyrazolyl)propanamide IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-methylpyrazol-3-yl)propanamide Traditional Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-methylpyrazol-3-yl)propionamide Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C=CC(=N1)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H18N6O2S/c1-21-9-7-13(20-21)17-14(23)8-10-22-15(18-19-16(22)25)11-3-5-12(24-2)6-4-11/h3-7,9H,8,10H2,1-2H3,(H,19,25)(H,17,20,23)