N-(2-cyclopentylsulfanylethyl)-4-nitro-benzamide

Systemtic Name: N-(2-cyclopentylsulfanylethyl)-4-nitro-benzamide Openeye Name: N-(2-cyclopentylsulfanylethyl)-4-nitro-benzamide CAS Name: N-[2-(cyclopentylthio)ethyl]-4-nitrobenzamide IUPAC Name: N-(2-cyclopentylsulfanylethyl)-4-nitrobenzamide Traditional Name: N-[2-(cyclopentylthio)ethyl]-4-nitro-benzamide Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)SCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O3S/c17-14(11-5-7-12(8-6-11)16(18)19)15-9-10-20-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,15,17)