4-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-nitro-benzamide CAS Name: 4-nitro-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-nitrobenzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-nitro-benzamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c19-16(14-6-8-15(9-7-14)18(20)21)17-10-11-22-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,17,19)