4-(5-pyridin-4-yl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(5-pyridin-4-yl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(4-pyridyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-(5-pyridin-4-yl-1,2-dihydro-1,2,4-triazol-3-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(5-pyridin-4-yl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(4-pyridyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C13H10N4O MolecularWeight: 238.2447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=O)C=CC1=C2NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C13H10N4O/c18-11-3-1-9(2-4-11)12-15-13(17-16-12)10-5-7-14-8-6-10/h1-8,16H,(H,15,17)