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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]propanamide Openeye Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-(2-thienyl)ethyl]propanamide CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]propanamide IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]propanamide Traditional Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-(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)NC(C)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N[C@@H](C)C3=CC=CS3

InChI

InChI=1S/C18H20N4OS2/c1-12-5-7-14(8-6-12)17-20-21-18(24)22(17)10-9-16(23)19-13(2)15-4-3-11-25-15/h3-8,11,13H,9-10H2,1-2H3,(H,19,23)(H,21,24)/t13-/m0/s1