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

Systemtic Name: N-[(1S)-1-(2-methylphenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[(1S)-1-(o-tolyl)ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[(1S)-1-(2-methylphenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[(1S)-1-(2-methylphenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[(1S)-1-(o-tolyl)ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C17H18N4OS2/c1-11-6-3-4-7-13(11)12(2)18-15(22)10-21-16(19-20-17(21)23)14-8-5-9-24-14/h3-9,12H,10H2,1-2H3,(H,18,22)(H,20,23)/t12-/m0/s1