1-(4-nitro-3-quinolin-2-ylsulfanyl-phenyl)ethanone

Systemtic Name: 1-(4-nitro-3-quinolin-2-ylsulfanyl-phenyl)ethanone Openeye Name: 1-[4-nitro-3-(2-quinolylsulfanyl)phenyl]ethanone CAS Name: 1-[4-nitro-3-(2-quinolinylthio)phenyl]ethanone IUPAC Name: 1-(4-nitro-3-quinolin-2-ylsulfanylphenyl)ethanone Traditional Name: 1-[4-nitro-3-(2-quinolylthio)phenyl]ethanone Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H12N2O3S/c1-11(20)13-6-8-15(19(21)22)16(10-13)23-17-9-7-12-4-2-3-5-14(12)18-17/h2-10H,1H3