3-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-isopropylphenyl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(4-propan-2-ylphenyl)ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-2-p-cumenyl-ethyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C16H21N3O2S/c1-4-9-19-15(21)17-18-16(19)22-10-14(20)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,21)