N-(2-methyl-5-nitro-phenyl)-1,1-bis(oxidanylidene)thian-4-amine

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-1,1-bis(oxidanylidene)thian-4-amine Openeye Name: N-(2-methyl-5-nitro-phenyl)-1,1-dioxo-thian-4-amine CAS Name: N-(2-methyl-5-nitrophenyl)-1,1-dioxo-4-thianamine IUPAC Name: N-(2-methyl-5-nitrophenyl)-1,1-dioxothian-4-amine Traditional Name: (1,1-diketothian-4-yl)-(2-methyl-5-nitro-phenyl)amine Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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