N-[2-(4-methylphenyl)sulfanylethyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-[2-(p-tolylsulfanyl)ethyl]benzamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[2-(p-tolylthio)ethyl]benzamide Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S/c1-11-2-4-15(5-3-11)25-7-6-17-16(20)12-8-13(18(21)22)10-14(9-12)19(23)24/h2-5,8-10H,6-7H2,1H3,(H,17,20)