4-[(2,5-dimethylphenyl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(2,5-dimethylphenyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(2,5-dimethylphenyl)thio]methyl]-3-nitro-benzamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c1-10-3-4-11(2)15(7-10)22-9-13-6-5-12(16(17)19)8-14(13)18(20)21/h3-8H,9H2,1-2H3,(H2,17,19)