4-(4-chlorophenyl)sulfanyl-N-(2,6-diethylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(2,6-diethylphenyl)-3-nitro-benzamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(2,6-diethylphenyl)-3-nitro-benzamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(2,6-diethylphenyl)-3-nitrobenzamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(2,6-diethylphenyl)-3-nitrobenzamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(2,6-diethylphenyl)-3-nitro-benzamide Formula: C23H21ClN2O3S MolecularWeight: 440.94244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O3S/c1-3-15-6-5-7-16(4-2)22(15)25-23(27)17-8-13-21(20(14-17)26(28)29)30-19-11-9-18(24)10-12-19/h5-14H,3-4H2,1-2H3,(H,25,27)