N-(2-methylsulfanylethyl)-3-nitro-quinolin-4-amine

Systemtic Name: N-(2-methylsulfanylethyl)-3-nitro-quinolin-4-amine Openeye Name: N-(2-methylsulfanylethyl)-3-nitro-quinolin-4-amine CAS Name: N-[2-(methylthio)ethyl]-3-nitro-4-quinolinamine IUPAC Name: N-(2-methylsulfanylethyl)-3-nitroquinolin-4-amine Traditional Name: 2-(methylthio)ethyl-(3-nitro-4-quinolyl)amine Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC1=C(C=NC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CSCCNC1=C(C=NC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O2S/c1-18-7-6-13-12-9-4-2-3-5-10(9)14-8-11(12)15(16)17/h2-5,8H,6-7H2,1H3,(H,13,14)