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

Systemtic Name: 3-[4-ethyl-5-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCC(=N2)C3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCC(=N2)C3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C18H22N6O2S/c1-2-23-16(9-8-15(19)25)20-21-18(23)27-12-17(26)24-11-10-14(22-24)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,19,25)