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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(2-thienyl)ethyl]propanamide CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(2-thienyl)ethyl]propionamide Formula: C18H20N4OS2 MolecularWeight: 372.5076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C18H20N4OS2/c1-13-4-6-14(7-5-13)17-20-21-18(24)22(17)11-9-16(23)19-10-8-15-3-2-12-25-15/h2-7,12H,8-11H2,1H3,(H,19,23)(H,21,24)