N-(4-bromanyl-3-methyl-phenyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(methylthio)-3-nitro-benzamide Formula: C15H13BrN2O3S MolecularWeight: 381.24432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])Br

InChI

InChI=1S/C15H13BrN2O3S/c1-9-7-11(4-5-12(9)16)17-15(19)10-3-6-14(22-2)13(8-10)18(20)21/h3-8H,1-2H3,(H,17,19)