2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C18H16ClN3OS MolecularWeight: 357.85714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C18H16ClN3OS/c19-14-5-6-15-16(9-14)21-18(20-15)24-11-17(23)22-8-7-12-3-1-2-4-13(12)10-22/h1-6,9H,7-8,10-11H2,(H,20,21)