4-[5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(o-tolyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(o-tolyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C15H13N3O MolecularWeight: 251.28322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C3C=CC(=O)C=C3)NN2

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C3C=CC(=O)C=C3)NN2

InChI

InChI=1S/C15H13N3O/c1-10-4-2-3-5-13(10)15-16-14(17-18-15)11-6-8-12(19)9-7-11/h2-9,17H,1H3,(H,16,18)