2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)NCCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)NCCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C26H22N4O2S/c31-25(27-16-14-19-10-12-21(13-11-19)30-17-5-15-28-30)22-7-2-1-6-20(22)18-33-26-29-23-8-3-4-9-24(23)32-26/h1-13,15,17H,14,16,18H2,(H,27,31)