(3-nitrophenyl) 2-prop-2-enylsulfanylpyridine-3-carboxylate

Systemtic Name: (3-nitrophenyl) 2-prop-2-enylsulfanylpyridine-3-carboxylate Openeye Name: (3-nitrophenyl) 2-allylsulfanylpyridine-3-carboxylate CAS Name: 2-(prop-2-enylthio)-3-pyridinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-prop-2-enylsulfanylpyridine-3-carboxylate Traditional Name: 2-(allylthio)nicotinic acid (3-nitrophenyl) ester Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O4S/c1-2-9-22-14-13(7-4-8-16-14)15(18)21-12-6-3-5-11(10-12)17(19)20/h2-8,10H,1,9H2