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

Systemtic Name: 3-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(2,4,5-trimethylphenyl)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=C2C)C)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2C)C)C

InChI

InChI=1S/C16H21N3O2S/c1-5-6-19-15(21)17-18-16(19)22-9-14(20)13-8-11(3)10(2)7-12(13)4/h7-8H,5-6,9H2,1-4H3,(H,17,21)