4-methylsulfanyl-3-nitro-N-phenethyl-benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-phenethyl-benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-phenethyl-benzamide CAS Name: 4-(methylthio)-3-nitro-N-phenethylbenzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-phenethylbenzamide Traditional Name: 4-(methylthio)-3-nitro-N-phenethyl-benzamide Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c1-22-15-8-7-13(11-14(15)18(20)21)16(19)17-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,19)