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

Systemtic Name: 4-butyl-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-[4-(4-hydroxyphenyl)piperazino]-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O3S/c1-2-3-8-23-17(26)19-20-18(23)27-13-16(25)22-11-9-21(10-12-22)14-4-6-15(24)7-5-14/h4-7,24H,2-3,8-13H2,1H3,(H,19,26)