N-[4-(4-methylphenoxy)phenyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[4-(4-methylphenoxy)phenyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[4-(4-methylphenoxy)phenyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[4-(4-methylphenoxy)phenyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[4-(4-methylphenoxy)phenyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[4-(4-methylphenoxy)phenyl]-4-(methylthio)-3-nitro-benzamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O4S/c1-14-3-8-17(9-4-14)27-18-10-6-16(7-11-18)22-21(24)15-5-12-20(28-2)19(13-15)23(25)26/h3-13H,1-2H3,(H,22,24)