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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C

InChI

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