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

Systemtic Name: 4-butyl-3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H23N5O3S2/c1-2-3-6-22-16(25)18-19-17(22)27-12-14(23)20-7-9-21(10-8-20)15(24)13-5-4-11-26-13/h4-5,11H,2-3,6-10,12H2,1H3,(H,18,25)