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

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C17H22ClN5OS MolecularWeight: 379.90748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN5OS/c1-2-4-15-19-20-17(25)23(15)12-16(24)22-9-7-21(8-10-22)14-6-3-5-13(18)11-14/h3,5-6,11H,2,4,7-10,12H2,1H3,(H,20,25)