N-(2,5-dimethylphenyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(2,5-dimethylphenyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(2,5-dimethylphenyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(2,5-dimethylphenyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(2,5-dimethylphenyl)-4-(methylthio)-3-nitro-benzamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-10-4-5-11(2)13(8-10)17-16(19)12-6-7-15(22-3)14(9-12)18(20)21/h4-9H,1-3H3,(H,17,19)