N-ethoxy-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-ethoxy-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-ethoxy-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-ethoxy-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-ethoxy-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-ethoxy-4-(isoamylthio)-3-nitro-benzamide Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)C1=CC(=C(C=C1)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCONC(=O)C1=CC(=C(C=C1)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-4-20-15-14(17)11-5-6-13(12(9-11)16(18)19)21-8-7-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,17)