1-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-(3-nitropyridin-2-yl)oxy-phenyl]ethanone

Systemtic Name: 1-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-(3-nitropyridin-2-yl)oxy-phenyl]ethanone Openeye Name: 1-[3-(4,5-dihydrothiazol-2-ylsulfanylmethyl)-4-[(3-nitro-2-pyridyl)oxy]phenyl]ethanone CAS Name: 1-[3-[(4,5-dihydrothiazol-2-ylthio)methyl]-4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone IUPAC Name: 1-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-(3-nitropyridin-2-yl)oxyphenyl]ethanone Traditional Name: 1-[4-[(3-nitro-2-pyridyl)oxy]-3-[(2-thiazolin-2-ylthio)methyl]phenyl]ethanone Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC2=C(C=CC=N2)[N+](=O)[O-])CSC3=NCCS3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC2=C(C=CC=N2)[N+](=O)[O-])CSC3=NCCS3

InChI

InChI=1S/C17H15N3O4S2/c1-11(21)12-4-5-15(13(9-12)10-26-17-19-7-8-25-17)24-16-14(20(22)23)3-2-6-18-16/h2-6,9H,7-8,10H2,1H3