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

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]phenyl]-3-methyl-4-nitro-benzamide Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2SCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2SCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

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