N'-[6-methyl-3-(3-nitrophenyl)-2-oxidanylidene-6H-1,2,3-thiadiazin-2-ium-4-yl]ethane-1,2-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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