N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-[4-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Formula: C27H24N4OS MolecularWeight: 452.57066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)C2=CC=CC=C2C3=CC=C(C=C3)CN4C=CC=N4)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C2=CC=CC=C2C3=CC=C(C=C3)CN4C=CC=N4)C#N

InChI

InChI=1S/C27H24N4OS/c28-18-23-6-1-2-7-24(23)20-33-17-15-29-27(32)26-9-4-3-8-25(26)22-12-10-21(11-13-22)19-31-16-5-14-30-31/h1-14,16H,15,17,19-20H2,(H,29,32)