(Z)-3-[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]prop-2-enoic acid

Systemtic Name: (Z)-3-[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]prop-2-enoic acid Openeye Name: (Z)-3-[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]prop-2-enoic acid CAS Name: (Z)-3-[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]-2-propenoic acid IUPAC Name: (Z)-3-[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]prop-2-enoic acid Traditional Name: (Z)-3-[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]acrylic acid Formula: C17H14N4O2 MolecularWeight: 306.31866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=NC=C3)C=CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=NC=C3)/C=C\C(=O)O

InChI

InChI=1S/C17H14N4O2/c1-12-2-4-14(5-3-12)21-15(6-7-16(22)23)19-20-17(21)13-8-10-18-11-9-13/h2-11H,1H3,(H,22,23)/b7-6-