N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-(m-tolylmethylsulfanyl)ethyl]-4-nitro-benzamide CAS Name: N-[2-[(3-methylphenyl)methylthio]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[(3-methylbenzyl)thio]ethyl]-4-nitro-benzamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-13-3-2-4-14(11-13)12-23-10-9-18-17(20)15-5-7-16(8-6-15)19(21)22/h2-8,11H,9-10,12H2,1H3,(H,18,20)