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

Systemtic Name: 4-(3-methoxypropyl)-3-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(3-methoxypropyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(3-methoxypropyl)-3-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(3-methoxypropyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O3S/c1-25-11-5-9-21-16(24)18-19-17(21)26-12-15(23)22-10-8-14(20-22)13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,18,24)