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

Systemtic Name: 3-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H19N5O2S/c1-2-9-20-15(23)17-18-16(20)24-11-14(22)21-10-8-13(19-21)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,17,23)