methyl 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-4-methyl-benzoate

Systemtic Name: methyl 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-4-methyl-benzoate Openeye Name: methyl 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-4-methyl-benzoate CAS Name: 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-4-methylbenzoate Traditional Name: 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-4-methyl-benzoic acid methyl ester Formula: C23H19N3O2 MolecularWeight: 369.41586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)N2C(=NN=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)N2C(=NN=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2/c1-16-13-14-19(23(27)28-2)15-20(16)26-21(17-9-5-3-6-10-17)24-25-22(26)18-11-7-4-8-12-18/h3-15H,1-2H3