5-chloranyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-pyridin-2-amine

Systemtic Name: 5-chloranyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-pyridin-2-amine Openeye Name: 5-chloro-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-pyridin-2-amine CAS Name: 5-chloro-N-[[4-(methylthio)phenyl]methyl]-3-nitro-2-pyridinamine IUPAC Name: 5-chloro-N-[(4-methylsulfanylphenyl)methyl]-3-nitropyridin-2-amine Traditional Name: (5-chloro-3-nitro-2-pyridyl)-[4-(methylthio)benzyl]amine Formula: C13H12ClN3O2S MolecularWeight: 309.77128

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC2=NC=C(C=C2[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC=C(C=C1)CNC2=NC=C(C=C2[N+](=O)[O-])Cl

InChI

InChI=1S/C13H12ClN3O2S/c1-20-11-4-2-9(3-5-11)7-15-13-12(17(18)19)6-10(14)8-16-13/h2-6,8H,7H2,1H3,(H,15,16)