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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-(phenoxymethyl)-4-phenyl-pyrazol-3-yl]benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-(phenoxymethyl)-4-phenyl-pyrazol-3-yl]benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-(phenoxymethyl)-4-phenyl-3-pyrazolyl]benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-(phenoxymethyl)-4-phenylpyrazol-3-yl]benzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-(phenoxymethyl)-4-phenyl-pyrazol-3-yl]benzamide Formula: C30H22N4O2S MolecularWeight: 502.58628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2COC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)NC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2COC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H22N4O2S/c35-29(22-14-6-2-7-15-22)32-28-27(21-12-4-1-5-13-21)25(20-36-23-16-8-3-9-17-23)33-34(28)30-31-24-18-10-11-19-26(24)37-30/h1-19H,20H2,(H,32,35)