[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] carbamimidothioate hydrochloride

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] carbamimidothioate hydrochloride Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-carbamimidoylsulfanyl-acetamide hydrochloride CAS Name: carbamimidothioic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester hydrochloride IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] carbamimidothioate hydrochloride Traditional Name: 2-(amidinothio)-N-(2-bromo-4-nitro-phenyl)acetamide hydrochloride Formula: C9H10BrClN4O3S MolecularWeight: 369.6227

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)CSC(=N)N.Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)CSC(=N)N.Cl

InChI

InChI=1S/C9H9BrN4O3S.ClH/c10-6-3-5(14(16)17)1-2-7(6)13-8(15)4-18-9(11)12;/h1-3H,4H2,(H3,11,12)(H,13,15);1H