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

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[2-[(2-cyanophenyl)methylthio]ethyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[2-[(2-cyanobenzyl)thio]ethyl]benzamide Formula: C24H21N5OS MolecularWeight: 427.52144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)C#N

InChI

InChI=1S/C24H21N5OS/c25-15-20-5-1-2-6-21(20)17-31-14-13-26-24(30)19-11-9-18(10-12-19)16-29-23-8-4-3-7-22(23)27-28-29/h1-12H,13-14,16-17H2,(H,26,30)