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

Systemtic Name: 4-chloranyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-nitro-benzamide Openeye Name: 4-chloro-3-nitro-N-[2-(p-tolylsulfanyl)ethyl]benzamide CAS Name: 4-chloro-N-[2-[(4-methylphenyl)thio]ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(4-methylphenyl)sulfanylethyl]-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-[2-(p-tolylthio)ethyl]benzamide Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O3S/c1-11-2-5-13(6-3-11)23-9-8-18-16(20)12-4-7-14(17)15(10-12)19(21)22/h2-7,10H,8-9H2,1H3,(H,18,20)