N-(2-ethylphenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(2-ethylphenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(2-ethylphenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(2-ethylphenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(2-ethylphenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(2-ethylphenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O3S/c1-4-15-7-5-6-8-17(15)21-20(23)16-9-10-19(18(13-16)22(24)25)26-12-11-14(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,23)