3-(1H-benzimidazol-2-ylsulfinylmethyl)pyridin-2-amine hydrate

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfinylmethyl)pyridin-2-amine hydrate Openeye Name: 3-(1H-benzimidazol-2-ylsulfinylmethyl)pyridin-2-amine hydrate CAS Name: 3-(1H-benzimidazol-2-ylsulfinylmethyl)-2-pyridinamine hydrate IUPAC Name: 3-(1H-benzimidazol-2-ylsulfinylmethyl)pyridin-2-amine hydrate Traditional Name: [3-(1H-benzimidazol-2-ylsulfinylmethyl)-2-pyridyl]amine hydrate Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)S(=O)CC3=C(N=CC=C3)N.O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)S(=O)CC3=C(N=CC=C3)N.O

InChI

InChI=1S/C13H12N4OS.H2O/c14-12-9(4-3-7-15-12)8-19(18)13-16-10-5-1-2-6-11(10)17-13;/h1-7H,8H2,(H2,14,15)(H,16,17);1H2