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

Systemtic Name: N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-methyl-3-nitro-benzamide CAS Name: N-methyl-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-methyl-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-methyl-3-nitro-benzamide Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-9(2)6-7-19-12-5-4-10(13(16)14-3)8-11(12)15(17)18/h4-5,8-9H,6-7H2,1-3H3,(H,14,16)