4-(3,4-dimethylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: 4-(3,4-dimethylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: 4-(3,4-dimethylphenyl)sulfanyl-3-nitro-benzamide CAS Name: 4-[(3,4-dimethylphenyl)thio]-3-nitrobenzamide IUPAC Name: 4-(3,4-dimethylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: 4-[(3,4-dimethylphenyl)thio]-3-nitro-benzamide Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3S/c1-9-3-5-12(7-10(9)2)21-14-6-4-11(15(16)18)8-13(14)17(19)20/h3-8H,1-2H3,(H2,16,18)