3-chloranyl-N-[2-[(4-methyl-3-nitro-phenyl)methylsulfanyl]phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-[(4-methyl-3-nitro-phenyl)methylsulfanyl]phenyl]benzamide Openeye Name: 3-chloro-N-[2-[(4-methyl-3-nitro-phenyl)methylsulfanyl]phenyl]benzamide CAS Name: 3-chloro-N-[2-[(4-methyl-3-nitrophenyl)methylthio]phenyl]benzamide IUPAC Name: 3-chloro-N-[2-[(4-methyl-3-nitrophenyl)methylsulfanyl]phenyl]benzamide Traditional Name: 3-chloro-N-[2-[(4-methyl-3-nitro-benzyl)thio]phenyl]benzamide Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN2O3S/c1-14-9-10-15(11-19(14)24(26)27)13-28-20-8-3-2-7-18(20)23-21(25)16-5-4-6-17(22)12-16/h2-12H,13H2,1H3,(H,23,25)