N-(4-methyl-2-nitro-phenyl)-1,1-bis(oxidanylidene)thian-4-amine

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-1,1-bis(oxidanylidene)thian-4-amine Openeye Name: N-(4-methyl-2-nitro-phenyl)-1,1-dioxo-thian-4-amine CAS Name: N-(4-methyl-2-nitrophenyl)-1,1-dioxo-4-thianamine IUPAC Name: N-(4-methyl-2-nitrophenyl)-1,1-dioxothian-4-amine Traditional Name: (1,1-diketothian-4-yl)-(4-methyl-2-nitro-phenyl)amine Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2CCS(=O)(=O)CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC2CCS(=O)(=O)CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4S/c1-9-2-3-11(12(8-9)14(15)16)13-10-4-6-19(17,18)7-5-10/h2-3,8,10,13H,4-7H2,1H3