1-(1H-benzimidazol-2-ylsulfanylmethyl)-3,3-dimethyl-4H-isoquinoline

Systemtic Name: 1-(1H-benzimidazol-2-ylsulfanylmethyl)-3,3-dimethyl-4H-isoquinoline Openeye Name: 1-(1H-benzimidazol-2-ylsulfanylmethyl)-3,3-dimethyl-4H-isoquinoline CAS Name: 1-[(1H-benzimidazol-2-ylthio)methyl]-3,3-dimethyl-4H-isoquinoline IUPAC Name: 1-(1H-benzimidazol-2-ylsulfanylmethyl)-3,3-dimethyl-4H-isoquinoline Traditional Name: 1-[(1H-benzimidazol-2-ylthio)methyl]-3,3-dimethyl-4H-isoquinoline Formula: C19H19N3S MolecularWeight: 321.43926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)CSC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)CSC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C19H19N3S/c1-19(2)11-13-7-3-4-8-14(13)17(22-19)12-23-18-20-15-9-5-6-10-16(15)21-18/h3-10H,11-12H2,1-2H3,(H,20,21)