N-(2-chloranyl-4,6-dimethyl-phenyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(methylthio)-3-nitro-benzamide Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

InChI

InChI=1S/C16H15ClN2O3S/c1-9-6-10(2)15(12(17)7-9)18-16(20)11-4-5-14(23-3)13(8-11)19(21)22/h4-8H,1-3H3,(H,18,20)