[3-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-methylphenyl)-5-phenyl-pyrazol-4-yl]-phenyl-methanone

Systemtic Name: [3-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-methylphenyl)-5-phenyl-pyrazol-4-yl]-phenyl-methanone Openeye Name: [3-(1,3-benzothiazole-2-carbonyl)-5-phenyl-1-(p-tolyl)pyrazol-4-yl]-phenyl-methanone CAS Name: [3-[1,3-benzothiazol-2-yl(oxo)methyl]-1-(4-methylphenyl)-5-phenyl-4-pyrazolyl]-phenylmethanone IUPAC Name: [3-(1,3-benzothiazole-2-carbonyl)-1-(4-methylphenyl)-5-phenylpyrazol-4-yl]-phenylmethanone Traditional Name: [3-(1,3-benzothiazole-2-carbonyl)-5-phenyl-1-(p-tolyl)pyrazol-4-yl]-phenyl-methanone Formula: C31H21N3O2S MolecularWeight: 499.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)C3=NC4=CC=CC=C4S3)C(=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)C3=NC4=CC=CC=C4S3)C(=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H21N3O2S/c1-20-16-18-23(19-17-20)34-28(21-10-4-2-5-11-21)26(29(35)22-12-6-3-7-13-22)27(33-34)30(36)31-32-24-14-8-9-15-25(24)37-31/h2-19H,1H3