1-methyl-4-nitro-benzene; N3-methyl-4-phenyl-1,2,4-dithiazolidine-3,5-diimine

Systemtic Name: 1-methyl-4-nitro-benzene; N3-methyl-4-phenyl-1,2,4-dithiazolidine-3,5-diimine Openeye Name: 1-methyl-4-nitro-benzene; N3-methyl-4-phenyl-1,2,4-dithiazolidine-3,5-diimine CAS Name: 1-methyl-4-nitrobenzene; N3-methyl-4-phenyl-1,2,4-dithiazolidine-3,5-diimine IUPAC Name: 1-methyl-4-nitrobenzene; 3-N-methyl-4-phenyl-1,2,4-dithiazolidine-3,5-diimine Traditional Name: (5-imino-4-phenyl-1,2,4-dithiazolidin-3-ylidene)-methyl-amine; 1-methyl-4-nitro-benzene Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+](=O)[O-].CN=C1N(C(=N)SS1)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)[N+](=O)[O-].CN=C1N(C(=N)SS1)C2=CC=CC=C2

InChI

InChI=1S/C9H9N3S2.C7H7NO2/c1-11-9-12(8(10)13-14-9)7-5-3-2-4-6-7;1-6-2-4-7(5-3-6)8(9)10/h2-6,10H,1H3;2-5H,1H3