N-[2-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-5-methyl-pyrazol-3-yl]-4-phenyl-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-5-methyl-pyrazol-3-yl]-4-phenyl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-5-methyl-pyrazol-3-yl]-4-phenyl-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-5-methyl-3-pyrazolyl]-4-phenylbenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-phenylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-5-methyl-pyrazol-3-yl]-4-phenyl-benzamide Formula: C30H21ClN4OS MolecularWeight: 521.03194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CC1=NN(C(=C1C2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C30H21ClN4OS/c1-19-27(22-15-17-24(31)18-16-22)28(35(34-19)30-32-25-9-5-6-10-26(25)37-30)33-29(36)23-13-11-21(12-14-23)20-7-3-2-4-8-20/h2-18H,1H3,(H,33,36)