1-[3-ethanoyl-4-[(2-nitrophenyl)methylsulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[3-ethanoyl-4-[(2-nitrophenyl)methylsulfanylmethyl]phenyl]ethanone Openeye Name: 1-[3-acetyl-4-[(2-nitrophenyl)methylsulfanylmethyl]phenyl]ethanone CAS Name: 1-[3-acetyl-4-[[(2-nitrophenyl)methylthio]methyl]phenyl]ethanone IUPAC Name: 1-[3-acetyl-4-[(2-nitrophenyl)methylsulfanylmethyl]phenyl]ethanone Traditional Name: 1-[3-acetyl-4-[[(2-nitrobenzyl)thio]methyl]phenyl]ethanone Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)CSCC2=CC=CC=C2[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)CSCC2=CC=CC=C2[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C18H17NO4S/c1-12(20)14-7-8-15(17(9-14)13(2)21)10-24-11-16-5-3-4-6-18(16)19(22)23/h3-9H,10-11H2,1-2H3