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

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-methylpyrazol-3-yl)propanamide Openeye Name: N-(1-methylpyrazol-3-yl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-methyl-3-pyrazolyl)propanamide IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-methylpyrazol-3-yl)propanamide Traditional Name: N-(1-methylpyrazol-3-yl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C16H18N6OS MolecularWeight: 342.41872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=NN(C=C3)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=NN(C=C3)C

InChI

InChI=1S/C16H18N6OS/c1-11-4-3-5-12(10-11)15-18-19-16(24)22(15)9-7-14(23)17-13-6-8-21(2)20-13/h3-6,8,10H,7,9H2,1-2H3,(H,19,24)(H,17,20,23)