2-butan-2-yl-4-cyclohexa-1,5-dien-1-yl-1,2,4-triazol-3-one

Systemtic Name: 2-butan-2-yl-4-cyclohexa-1,5-dien-1-yl-1,2,4-triazol-3-one Openeye Name: 4-cyclohexa-1,5-dien-1-yl-2-sec-butyl-1,2,4-triazol-3-one CAS Name: 2-butan-2-yl-4-(1-cyclohexa-1,5-dienyl)-1,2,4-triazol-3-one IUPAC Name: 2-butan-2-yl-4-cyclohexa-1,5-dien-1-yl-1,2,4-triazol-3-one Traditional Name: 4-cyclohexa-1,5-dien-1-yl-2-sec-butyl-1,2,4-triazol-3-one Formula: C12H17N3O MolecularWeight: 219.28288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O/c1-3-10(2)15-12(16)14(9-13-15)11-7-5-4-6-8-11/h5,7-10H,3-4,6H2,1-2H3