3-nitro-4-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridine-2,6-diamine

Systemtic Name: 3-nitro-4-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridine-2,6-diamine Openeye Name: 3-nitro-4-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridine-2,6-diamine CAS Name: 3-nitro-4-[(2,4,6-trimethylphenyl)methylthio]pyridine-2,6-diamine IUPAC Name: 3-nitro-4-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridine-2,6-diamine Traditional Name: [6-amino-3-nitro-4-[(2,4,6-trimethylbenzyl)thio]-2-pyridyl]amine Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CSC2=CC(=NC(=C2[N+](=O)[O-])N)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CSC2=CC(=NC(=C2[N+](=O)[O-])N)N)C

InChI

InChI=1S/C15H18N4O2S/c1-8-4-9(2)11(10(3)5-8)7-22-12-6-13(16)18-15(17)14(12)19(20)21/h4-6H,7H2,1-3H3,(H4,16,17,18)