4-methylsulfanyl-3-nitro-N-(3-phenylprop-2-ynyl)benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-(3-phenylprop-2-ynyl)benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-(3-phenylprop-2-ynyl)benzamide CAS Name: 4-(methylthio)-3-nitro-N-(3-phenylprop-2-ynyl)benzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-(3-phenylprop-2-ynyl)benzamide Traditional Name: 4-(methylthio)-3-nitro-N-(3-phenylprop-2-ynyl)benzamide Formula: C17H14N2O3S MolecularWeight: 326.36966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCC#CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCC#CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O3S/c1-23-16-10-9-14(12-15(16)19(21)22)17(20)18-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,11H2,1H3,(H,18,20)