aluminum 2-(benzimidazol-1-id-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline

Systemtic Name: aluminum 2-(benzimidazol-1-id-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline Openeye Name: aluminum 2-(benzimidazol-1-id-2-ylsulfinylmethyl)-N-isobutyl-N-methyl-aniline CAS Name: aluminum 2-(2-benzimidazol-1-idylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline IUPAC Name: aluminum 2-(benzimidazol-1-id-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline Traditional Name: aluminum [2-(benzimidazol-1-id-2-ylsulfinylmethyl)phenyl]-isobutyl-methyl-amine Formula: C57H66AlN9O3S3 MolecularWeight: 1048.368978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3[N-]2.CC(C)CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3[N-]2.CC(C)CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3[N-]2.[Al+3]

Isomeric SMILES

CC(C)CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3[N-]2.CC(C)CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3[N-]2.CC(C)CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3[N-]2.[Al+3]

InChI

InChI=1S/3C19H22N3OS.Al/c3*1-14(2)12-22(3)18-11-7-4-8-15(18)13-24(23)19-20-16-9-5-6-10-17(16)21-19;/h3*4-11,14H,12-13H2,1-3H3;/q3*-1;+3