N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-cyanophenyl)sulfanyl-benzamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-cyanophenyl)sulfanyl-benzamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-cyanophenyl)sulfanyl-benzamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2-cyanophenyl)thio]benzamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2-cyanophenyl)thio]benzamide Formula: C22H14ClN5OS MolecularWeight: 431.89746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C22H14ClN5OS/c23-16-9-10-19(28-14-25-13-26-28)18(11-16)27-22(29)17-6-2-4-8-21(17)30-20-7-3-1-5-15(20)12-24/h1-11,13-14H,(H,27,29)