4-(3-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(3-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(3-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-3-nitro-benzamide CAS Name: 4-[(3-chlorophenyl)thio]-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(3-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-[(3-chlorophenyl)thio]-3-nitro-N-p-anisyl-benzamide Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN2O4S/c1-28-17-8-5-14(6-9-17)13-23-21(25)15-7-10-20(19(11-15)24(26)27)29-18-4-2-3-16(22)12-18/h2-12H,13H2,1H3,(H,23,25)