4-methyl-2,6-bis(methylsulfanyl)-5-nitro-benzene-1,3-diamine

Systemtic Name: 4-methyl-2,6-bis(methylsulfanyl)-5-nitro-benzene-1,3-diamine Openeye Name: 4-methyl-2,6-bis(methylsulfanyl)-5-nitro-benzene-1,3-diamine CAS Name: 4-methyl-2,6-bis(methylthio)-5-nitrobenzene-1,3-diamine IUPAC Name: 4-methyl-2,6-bis(methylsulfanyl)-5-nitrobenzene-1,3-diamine Traditional Name: [3-amino-4-methyl-2,6-bis(methylthio)-5-nitro-phenyl]amine Formula: C9H13N3O2S2 MolecularWeight: 259.34842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O2S2/c1-4-5(10)8(15-2)6(11)9(16-3)7(4)12(13)14/h10-11H2,1-3H3