N-(furan-2-ylmethyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(furan-2-ylmethyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(2-furylmethyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(2-furanylmethyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(furan-2-ylmethyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(2-furfuryl)-4-(isoamylthio)-3-nitro-benzamide Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4S/c1-12(2)7-9-24-16-6-5-13(10-15(16)19(21)22)17(20)18-11-14-4-3-8-23-14/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,18,20)