[2-(1,3-benzothiazol-2-yl)phenyl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C30H21N3O2S MolecularWeight: 487.57164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OC3=CC=CC=C3C4=NC5=CC=CC=C5S4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OC3=CC=CC=C3C4=NC5=CC=CC=C5S4)C6=CC=CC=C6

InChI

InChI=1S/C30H21N3O2S/c1-20-10-9-11-21(18-20)28-24(19-33(32-28)22-12-3-2-4-13-22)30(34)35-26-16-7-5-14-23(26)29-31-25-15-6-8-17-27(25)36-29/h2-19H,1H3