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

Systemtic Name: 4-butyl-3-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2S/c1-2-3-10-21-16(24)18-19-17(21)25-12-15(23)22-11-9-14(20-22)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,18,24)