N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-phenyl-pyrazole-4-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-phenylpyrazole-4-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-phenyl-pyrazole-4-carboxamide Formula: C26H21N5O2S MolecularWeight: 467.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H21N5O2S/c1-17(32)27-20-12-13-22-23(14-20)34-26(28-22)29-25(33)21-16-31(15-18-8-4-2-5-9-18)30-24(21)19-10-6-3-7-11-19/h2-14,16H,15H2,1H3,(H,27,32)(H,28,29,33)