4-butyl-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(2,4-dimethylphenyl)-4-oxazolyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=COC(=N2)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=COC(=N2)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C18H22N4O2S/c1-4-5-8-22-17(23)20-21-18(22)25-11-14-10-24-16(19-14)15-7-6-12(2)9-13(15)3/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,20,23)