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

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-nitro-3-oxidanyl-benzamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-hydroxy-4-nitro-benzamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-3-hydroxy-4-nitrobenzamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-hydroxy-4-nitrobenzamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-3-hydroxy-4-nitro-benzamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-13-3-7-18(11-14(13)2)28-17-8-5-16(6-9-17)22-21(25)15-4-10-19(23(26)27)20(24)12-15/h3-12,24H,1-2H3,(H,22,25)