2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C21H21ClN6OS MolecularWeight: 440.94904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CCC3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CCC3=NC4=CC=CC=C4N3)Cl

InChI

InChI=1S/C21H21ClN6OS/c1-13-7-8-14(11-15(13)22)23-20(29)12-30-21-27-26-19(28(21)2)10-9-18-24-16-5-3-4-6-17(16)25-18/h3-8,11H,9-10,12H2,1-2H3,(H,23,29)(H,24,25)