4-(4-methylphenyl)-2-(4,5,5-trimethylhexan-3-yl)-1,2,4-triazol-3-one

Systemtic Name: 4-(4-methylphenyl)-2-(4,5,5-trimethylhexan-3-yl)-1,2,4-triazol-3-one Openeye Name: 2-(1-ethyl-2,3,3-trimethyl-butyl)-4-(p-tolyl)-1,2,4-triazol-3-one CAS Name: 4-(4-methylphenyl)-2-(4,5,5-trimethylhexan-3-yl)-1,2,4-triazol-3-one IUPAC Name: 4-(4-methylphenyl)-2-(4,5,5-trimethylhexan-3-yl)-1,2,4-triazol-3-one Traditional Name: 2-(1-ethyl-2,3,3-trimethyl-butyl)-4-(p-tolyl)-1,2,4-triazol-3-one Formula: C18H27N3O MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(C)(C)C)N1C(=O)N(C=N1)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C(C)C(C)(C)C)N1C(=O)N(C=N1)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H27N3O/c1-7-16(14(3)18(4,5)6)21-17(22)20(12-19-21)15-10-8-13(2)9-11-15/h8-12,14,16H,7H2,1-6H3