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

Systemtic Name: 3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-3-nitro-benzamide CAS Name: 3-nitro-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-nitrobenzamide Traditional Name: N-[2-(benzylthio)ethyl]-3-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(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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