4-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C18H24ClN5O2S MolecularWeight: 409.93346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H24ClN5O2S/c1-2-3-7-24-17(26)20-21-18(24)27-13-16(25)23-10-8-22(9-11-23)15-6-4-5-14(19)12-15/h4-6,12H,2-3,7-11,13H2,1H3,(H,20,26)