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

Systemtic Name: 4-butyl-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-[4-(2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-keto-2-[4-(2-nitrophenyl)piperazino]ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C18H24N6O4S MolecularWeight: 420.48596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O4S/c1-2-3-8-23-17(26)19-20-18(23)29-13-16(25)22-11-9-21(10-12-22)14-6-4-5-7-15(14)24(27)28/h4-7H,2-3,8-13H2,1H3,(H,19,26)