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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=C3C=CC(=O)C=C3)NN2

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=C3C=CC(=O)C=C3)NN2

InChI

InChI=1S/C15H13N3O/c19-13-8-6-12(7-9-13)15-16-14(17-18-15)10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H,16,17)