(4E)-4-(3,6-diphenyl-2H-1,2,4-triazin-5-ylidene)-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-(3,6-diphenyl-2H-1,2,4-triazin-5-ylidene)-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-(3,6-diphenyl-2H-1,2,4-triazin-5-ylidene)-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-(3,6-diphenyl-2H-1,2,4-triazin-5-ylidene)-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-(3,6-diphenyl-2H-1,2,4-triazin-5-ylidene)-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-(3,6-diphenyl-2H-1,2,4-triazin-5-ylidene)-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C21H15N3O2 MolecularWeight: 341.3627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=NC2=C3C=CC(=O)C=C3O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C\2=NNC(=N/C2=C/3\C=CC(=O)C=C3O)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O2/c25-16-11-12-17(18(26)13-16)20-19(14-7-3-1-4-8-14)23-24-21(22-20)15-9-5-2-6-10-15/h1-13,26H,(H,22,24)/b20-17+