4-(2-methylpropylsulfanyl)-N-(4-methylpyridin-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(2-methylpropylsulfanyl)-N-(4-methylpyridin-2-yl)-3-nitro-benzamide Openeye Name: 4-isobutylsulfanyl-N-(4-methyl-2-pyridyl)-3-nitro-benzamide CAS Name: 4-(2-methylpropylthio)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide IUPAC Name: 4-(2-methylpropylsulfanyl)-N-(4-methylpyridin-2-yl)-3-nitrobenzamide Traditional Name: 4-(isobutylthio)-N-(4-methyl-2-pyridyl)-3-nitro-benzamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)SCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)C2=CC(=C(C=C2)SCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3S/c1-11(2)10-24-15-5-4-13(9-14(15)20(22)23)17(21)19-16-8-12(3)6-7-18-16/h4-9,11H,10H2,1-3H3,(H,18,19,21)