2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-aniline hydrate

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-aniline hydrate Openeye Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-aniline hydrate CAS Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methylaniline hydrate IUPAC Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methylaniline hydrate Traditional Name: [2-(1H-benzimidazol-2-ylsulfinylmethyl)phenyl]-methyl-amine hydrate Formula: C15H17N3O2S MolecularWeight: 303.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3N2.O

Isomeric SMILES

CNC1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3N2.O

InChI

InChI=1S/C15H15N3OS.H2O/c1-16-12-7-3-2-6-11(12)10-20(19)15-17-13-8-4-5-9-14(13)18-15;/h2-9,16H,10H2,1H3,(H,17,18);1H2