N-(2-ethyl-6-methyl-phenyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-(methylthio)-3-nitro-benzamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N2O3S/c1-4-12-7-5-6-11(2)16(12)18-17(20)13-8-9-15(23-3)14(10-13)19(21)22/h5-10H,4H2,1-3H3,(H,18,20)