6-(1H-benzimidazol-2-ylsulfinylmethyl)-2,3-dimethyl-aniline hydrate

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfinylmethyl)-2,3-dimethyl-aniline hydrate Openeye Name: 6-(1H-benzimidazol-2-ylsulfinylmethyl)-2,3-dimethyl-aniline hydrate CAS Name: 6-(1H-benzimidazol-2-ylsulfinylmethyl)-2,3-dimethylaniline hydrate IUPAC Name: 6-(1H-benzimidazol-2-ylsulfinylmethyl)-2,3-dimethylaniline hydrate Traditional Name: [6-(1H-benzimidazol-2-ylsulfinylmethyl)-2,3-dimethyl-phenyl]amine hydrate Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)CS(=O)C2=NC3=CC=CC=C3N2)N)C.O

Isomeric SMILES

CC1=C(C(=C(C=C1)CS(=O)C2=NC3=CC=CC=C3N2)N)C.O

InChI

InChI=1S/C16H17N3OS.H2O/c1-10-7-8-12(15(17)11(10)2)9-21(20)16-18-13-5-3-4-6-14(13)19-16;/h3-8H,9,17H2,1-2H3,(H,18,19);1H2