N-(3-ethylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(3-ethylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(3-ethylphenyl)-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-(3-ethylphenyl)-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-(3-ethylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(3-ethylphenyl)-3-nitro-4-(p-tolylthio)benzamide Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O3S/c1-3-16-5-4-6-18(13-16)23-22(25)17-9-12-21(20(14-17)24(26)27)28-19-10-7-15(2)8-11-19/h4-14H,3H2,1-2H3,(H,23,25)