N-(3-chloranyl-2-methyl-phenyl)-4-[3-(4-methylphenyl)sulfanyl-5-nitro-phenoxy]benzamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-[3-(4-methylphenyl)sulfanyl-5-nitro-phenoxy]benzamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-[3-nitro-5-(p-tolylsulfanyl)phenoxy]benzamide CAS Name: N-(3-chloro-2-methylphenyl)-4-[3-[(4-methylphenyl)thio]-5-nitrophenoxy]benzamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-[3-(4-methylphenyl)sulfanyl-5-nitrophenoxy]benzamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-[3-nitro-5-(p-tolylthio)phenoxy]benzamide Formula: C27H21ClN2O4S MolecularWeight: 504.98464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)OC3=CC=C(C=C3)C(=O)NC4=C(C(=CC=C4)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)OC3=CC=C(C=C3)C(=O)NC4=C(C(=CC=C4)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C27H21ClN2O4S/c1-17-6-12-23(13-7-17)35-24-15-20(30(32)33)14-22(16-24)34-21-10-8-19(9-11-21)27(31)29-26-5-3-4-25(28)18(26)2/h3-16H,1-2H3,(H,29,31)