2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[(1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H20N4O2S/c30-24(26-14-18-15-27-29(16-18)20-9-2-1-3-10-20)21-11-5-4-8-19(21)17-32-25-28-22-12-6-7-13-23(22)31-25/h1-13,15-16H,14,17H2,(H,26,30)