(2-azanyl-4-chloranyl-phenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (2-azanyl-4-chloranyl-phenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(2-amino-4-chloro-phenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (2-amino-4-chlorophenyl)methyl ester hydrochloride IUPAC Name: (2-amino-4-chlorophenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(2-amino-4-chloro-benzyl)isothiourea hydrochloride Formula: C8H11Cl2N3S MolecularWeight: 252.16404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)N)CSC(=N)N.Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)N)CSC(=N)N.Cl

InChI

InChI=1S/C8H10ClN3S.ClH/c9-6-2-1-5(7(10)3-6)4-13-8(11)12;/h1-3H,4,10H2,(H3,11,12);1H