1-[4-(2-methylphenyl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-(2-methylphenyl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-(o-tolyl)piperazin-1-yl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[4-(2-methylphenyl)-1-piperazinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-(2-methylphenyl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[4-(o-tolyl)piperazino]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C18H25N5OS MolecularWeight: 359.489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C18H25N5OS/c1-3-6-16-19-20-18(25)23(16)13-17(24)22-11-9-21(10-12-22)15-8-5-4-7-14(15)2/h4-5,7-8H,3,6,9-13H2,1-2H3,(H,20,25)