2-methyl-8-[(4-nitrophenyl)methylsulfanyl]quinoline

Systemtic Name: 2-methyl-8-[(4-nitrophenyl)methylsulfanyl]quinoline Openeye Name: 2-methyl-8-[(4-nitrophenyl)methylsulfanyl]quinoline CAS Name: 2-methyl-8-[(4-nitrophenyl)methylthio]quinoline IUPAC Name: 2-methyl-8-[(4-nitrophenyl)methylsulfanyl]quinoline Traditional Name: 2-methyl-8-[(4-nitrobenzyl)thio]quinoline Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C=C1

InChI

InChI=1S/C17H14N2O2S/c1-12-5-8-14-3-2-4-16(17(14)18-12)22-11-13-6-9-15(10-7-13)19(20)21/h2-10H,11H2,1H3