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

Systemtic Name: 4-butyl-3-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-keto-2-(2,4,5-trimethylphenyl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2C)C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2C)C)C

InChI

InChI=1S/C17H23N3O2S/c1-5-6-7-20-16(22)18-19-17(20)23-10-15(21)14-9-12(3)11(2)8-13(14)4/h8-9H,5-7,10H2,1-4H3,(H,18,22)