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

Systemtic Name: 4-(5-phenethyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(5-phenethyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-(5-phenethyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(5-phenethyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(5-phenethyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C16H15N3O MolecularWeight: 265.3098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC(=C3C=CC(=O)C=C3)NN2

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC(=C3C=CC(=O)C=C3)NN2

InChI

InChI=1S/C16H15N3O/c20-14-9-7-13(8-10-14)16-17-15(18-19-16)11-6-12-4-2-1-3-5-12/h1-5,7-10,19H,6,11H2,(H,17,18)