[azanyl-[2-[(4-nitrophenyl)amino]ethylsulfanyl]methylidene]azanium; methanesulfonate

Systemtic Name: [azanyl-[2-[(4-nitrophenyl)amino]ethylsulfanyl]methylidene]azanium; methanesulfonate Openeye Name: [amino-[2-(4-nitroanilino)ethylsulfanyl]methylene]ammonium; methanesulfonate CAS Name: [amino-[2-(4-nitroanilino)ethylthio]methylidene]ammonium; methanesulfonate IUPAC Name: [amino-[2-(4-nitroanilino)ethylsulfanyl]methylidene]azanium; methanesulfonate Traditional Name: [amino-[2-(4-nitroanilino)ethylthio]methylene]ammonium mesylate Formula: C10H16N4O5S2 MolecularWeight: 336.38784

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=CC=C1NCCSC(=[NH2+])N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=CC=C1NCCSC(=[NH2+])N)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O2S.CH4O3S/c10-9(11)16-6-5-12-7-1-3-8(4-2-7)13(14)15;1-5(2,3)4/h1-4,12H,5-6H2,(H3,10,11);1H3,(H,2,3,4)