N-(4-nitrophenyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(4-nitrophenyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(4-nitrophenyl)propanamide CAS Name: N-(4-nitrophenyl)-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: 3-(benzylthio)-N-(4-nitrophenyl)propionamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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