N-[2-(cyclohexen-1-yl)ethyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCCC2=CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCCC2=CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O3S/c1-22-15-8-7-13(11-14(15)18(20)21)16(19)17-10-9-12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,17,19)