N'-(1-adamantyl)-2-sulfanyl-ethanimidamide hydrate hydrochloride

Systemtic Name: N'-(1-adamantyl)-2-sulfanyl-ethanimidamide hydrate hydrochloride Openeye Name: N'-(1-adamantyl)-2-sulfanyl-acetamidine hydrate hydrochloride CAS Name: N'-(1-adamantyl)-2-mercaptoethanimidamide hydrate hydrochloride IUPAC Name: N'-(1-adamantyl)-2-sulfanylethanimidamide hydrate hydrochloride Traditional Name: N'-(1-adamantyl)-2-mercapto-acetamidine hydrate hydrochloride Formula: C12H23ClN2OS MolecularWeight: 278.84182

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N=C(CS)N.O.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N=C(CS)N.O.Cl

InChI

InChI=1S/C12H20N2S.ClH.H2O/c13-11(7-15)14-12-4-8-1-9(5-12)3-10(2-8)6-12;;/h8-10,15H,1-7H2,(H2,13,14);1H;1H2