(6Z)-6-(2-methyl-5-pyridin-2-yl-1H-1,2,4-triazol-3-ylidene)-3-phenylmethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-(2-methyl-5-pyridin-2-yl-1H-1,2,4-triazol-3-ylidene)-3-phenylmethoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-3-benzyloxy-6-[2-methyl-5-(2-pyridyl)-1H-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[2-methyl-5-(2-pyridinyl)-1H-1,2,4-triazol-3-ylidene]-3-phenylmethoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-(2-methyl-5-pyridin-2-yl-1H-1,2,4-triazol-3-ylidene)-3-phenylmethoxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-3-benzoxy-6-[2-methyl-5-(2-pyridyl)-1H-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H18N4O2 MolecularWeight: 358.39322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=CC2=O)OCC3=CC=CC=C3)N=C(N1)C4=CC=CC=N4

Isomeric SMILES

CN1/C(=C\2/C=CC(=CC2=O)OCC3=CC=CC=C3)/N=C(N1)C4=CC=CC=N4

InChI

InChI=1S/C21H18N4O2/c1-25-21(23-20(24-25)18-9-5-6-12-22-18)17-11-10-16(13-19(17)26)27-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,23,24)/b21-17-