2-(4-nitrophenyl)sulfanyl-1-pyridin-2-yl-butan-1-one

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-pyridin-2-yl-butan-1-one Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-(2-pyridyl)butan-1-one CAS Name: 2-[(4-nitrophenyl)thio]-1-(2-pyridinyl)-1-butanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-pyridin-2-ylbutan-1-one Traditional Name: 2-[(4-nitrophenyl)thio]-1-(2-pyridyl)butan-1-one Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=N1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)C1=CC=CC=N1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O3S/c1-2-14(15(18)13-5-3-4-10-16-13)21-12-8-6-11(7-9-12)17(19)20/h3-10,14H,2H2,1H3