2-chloranyl-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-nitro-benzamide Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O3S/c1-11-3-5-14(9-12(11)2)24-8-7-19-17(21)15-6-4-13(20(22)23)10-16(15)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)