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

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-nitro-benzamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S/c1-14-6-7-15(2)20(12-14)27-19-10-8-17(9-11-19)22-21(24)16-4-3-5-18(13-16)23(25)26/h3-13H,1-2H3,(H,22,24)