N-methyl-N-[(4-methylsulfanylphenyl)methyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-8-nitro-isoquinolin-5-amine CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-8-nitroisoquinolin-5-amine Traditional Name: methyl-[4-(methylthio)benzyl]-(8-nitro-5-isoquinolyl)amine Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O2S/c1-20(12-13-3-5-14(24-2)6-4-13)17-7-8-18(21(22)23)16-11-19-10-9-15(16)17/h3-11H,12H2,1-2H3