2-(2-cyanophenyl)sulfanyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[4-(pyrazol-1-ylmethyl)benzyl]benzamide Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C25H20N4OS/c26-16-21-6-1-3-8-23(21)31-24-9-4-2-7-22(24)25(30)27-17-19-10-12-20(13-11-19)18-29-15-5-14-28-29/h1-15H,17-18H2,(H,27,30)