(4-nitrophenyl)methylsulfanyl carbamimidate hydrochloride

Systemtic Name: (4-nitrophenyl)methylsulfanyl carbamimidate hydrochloride Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]isourea hydrochloride CAS Name: (4-nitrophenyl)methanesulfenic acid carbamimidoyl ester hydrochloride IUPAC Name: (4-nitrophenyl)methylsulfanyl carbamimidate hydrochloride Traditional Name: 2-[(4-nitrobenzyl)thio]isourea hydrochloride Formula: C8H10ClN3O3S MolecularWeight: 263.7013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSOC(=N)N)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC(=CC=C1CSOC(=N)N)[N+](=O)[O-].Cl

InChI

InChI=1S/C8H9N3O3S.ClH/c9-8(10)14-15-5-6-1-3-7(4-2-6)11(12)13;/h1-4H,5H2,(H3,9,10);1H