4-chloranyl-N-(2-cyclopentylsulfanylphenyl)-2-nitro-benzamide

Systemtic Name: 4-chloranyl-N-(2-cyclopentylsulfanylphenyl)-2-nitro-benzamide Openeye Name: 4-chloro-N-(2-cyclopentylsulfanylphenyl)-2-nitro-benzamide CAS Name: 4-chloro-N-[2-(cyclopentylthio)phenyl]-2-nitrobenzamide IUPAC Name: 4-chloro-N-(2-cyclopentylsulfanylphenyl)-2-nitrobenzamide Traditional Name: 4-chloro-N-[2-(cyclopentylthio)phenyl]-2-nitro-benzamide Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O3S/c19-12-9-10-14(16(11-12)21(23)24)18(22)20-15-7-3-4-8-17(15)25-13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2,(H,20,22)