N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-methyl-2-nitro-benzamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-methyl-2-nitro-benzamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-methyl-2-nitro-benzamide Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O3S/c1-14-7-8-15(2)20(13-14)28-18-11-9-17(10-12-18)23-22(25)19-6-4-5-16(3)21(19)24(26)27/h4-13H,1-3H3,(H,23,25)