N-(2-methyl-3-nitro-phenyl)thian-4-amine

Systemtic Name: N-(2-methyl-3-nitro-phenyl)thian-4-amine Openeye Name: N-(2-methyl-3-nitro-phenyl)tetrahydrothiopyran-4-amine CAS Name: N-(2-methyl-3-nitrophenyl)-4-thianamine IUPAC Name: N-(2-methyl-3-nitrophenyl)thian-4-amine Traditional Name: (2-methyl-3-nitro-phenyl)-tetrahydrothiopyran-4-yl-amine Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC2CCSCC2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC2CCSCC2

InChI

InChI=1S/C12H16N2O2S/c1-9-11(3-2-4-12(9)14(15)16)13-10-5-7-17-8-6-10/h2-4,10,13H,5-8H2,1H3