2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-aniline hydrate

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-aniline hydrate Openeye Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-aniline hydrate CAS Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methylaniline hydrate IUPAC Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methylaniline hydrate Traditional Name: [2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-phenyl]amine hydrate Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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