N'-[4-(6-methyl-2-oxidanylidene-3,6-dihydro-1,2,3-thiadiazin-2-ium-5-yl)-2-nitro-phenyl]ethane-1,2-diamine

Systemtic Name: N'-[4-(6-methyl-2-oxidanylidene-3,6-dihydro-1,2,3-thiadiazin-2-ium-5-yl)-2-nitro-phenyl]ethane-1,2-diamine Openeye Name: N'-[4-(6-methyl-2-oxo-3,6-dihydrothiadiazin-2-ium-5-yl)-2-nitro-phenyl]ethane-1,2-diamine CAS Name: N'-[4-(6-methyl-2-oxo-3,6-dihydrothiadiazin-2-ium-5-yl)-2-nitrophenyl]ethane-1,2-diamine IUPAC Name: N'-[4-(6-methyl-2-oxo-3,6-dihydrothiadiazin-2-ium-5-yl)-2-nitrophenyl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-[4-(2-keto-6-methyl-3,6-dihydrothiadiazin-2-ium-5-yl)-2-nitro-phenyl]amine Formula: C12H16N5O3S+ MolecularWeight: 310.35214

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CN[N+](=O)S1)C2=CC(=C(C=C2)NCCN)[N+](=O)[O-]

Isomeric SMILES

CC1C(=CN[N+](=O)S1)C2=CC(=C(C=C2)NCCN)[N+](=O)[O-]

InChI

InChI=1S/C12H16N5O3S/c1-8-10(7-15-17(20)21-8)9-2-3-11(14-5-4-13)12(6-9)16(18)19/h2-3,6-8,14H,4-5,13H2,1H3,(H,15,20)/q+1