2-prop-2-enylsulfanyl-1H-benzimidazole hydrate hydrochloride

Systemtic Name: 2-prop-2-enylsulfanyl-1H-benzimidazole hydrate hydrochloride Openeye Name: 2-allylsulfanyl-1H-benzimidazole hydrate hydrochloride CAS Name: 2-(prop-2-enylthio)-1H-benzimidazole hydrate hydrochloride IUPAC Name: 2-prop-2-enylsulfanyl-1H-benzimidazole hydrate hydrochloride Traditional Name: 2-(allylthio)-1H-benzimidazole hydrate hydrochloride Formula: C10H13ClN2OS MolecularWeight: 244.74102

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=CC=CC=C2N1.O.Cl

Isomeric SMILES

C=CCSC1=NC2=CC=CC=C2N1.O.Cl

InChI

InChI=1S/C10H10N2S.ClH.H2O/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10;;/h2-6H,1,7H2,(H,11,12);1H;1H2