5-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-2-amine hydrate

Systemtic Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-2-amine hydrate Openeye Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-2-amine hydrate CAS Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-2-pyridinamine hydrate IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-2-amine hydrate Traditional Name: [5-[(1H-benzimidazol-2-ylthio)methyl]-2-pyridyl]amine hydrate Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=CN=C(C=C3)N.O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=CN=C(C=C3)N.O

InChI

InChI=1S/C13H12N4S.H2O/c14-12-6-5-9(7-15-12)8-18-13-16-10-3-1-2-4-11(10)17-13;/h1-7H,8H2,(H2,14,15)(H,16,17);1H2