(E)-4-(3-nitrophenyl)-3-(2-sulfanyl-1H-pyridin-2-yl)but-3-en-2-one

Systemtic Name: (E)-4-(3-nitrophenyl)-3-(2-sulfanyl-1H-pyridin-2-yl)but-3-en-2-one Openeye Name: (E)-4-(3-nitrophenyl)-3-(2-sulfanyl-1H-pyridin-2-yl)but-3-en-2-one CAS Name: (E)-3-(2-mercapto-1H-pyridin-2-yl)-4-(3-nitrophenyl)-3-buten-2-one IUPAC Name: (E)-4-(3-nitrophenyl)-3-(2-sulfanyl-1H-pyridin-2-yl)but-3-en-2-one Traditional Name: (E)-3-(2-mercapto-1H-pyridin-2-yl)-4-(3-nitrophenyl)but-3-en-2-one Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C2(C=CC=CN2)S

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C2(C=CC=CN2)S

InChI

InChI=1S/C15H14N2O3S/c1-11(18)14(15(21)7-2-3-8-16-15)10-12-5-4-6-13(9-12)17(19)20/h2-10,16,21H,1H3/b14-10+