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

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-methoxy-3-nitro-benzamide Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-14-4-5-15(2)21(12-14)29-18-9-7-17(8-10-18)23-22(25)16-6-11-20(28-3)19(13-16)24(26)27/h4-13H,1-3H3,(H,23,25)