N-(6-methoxypyridin-3-yl)-4-(2-methylpropylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(6-methoxypyridin-3-yl)-4-(2-methylpropylsulfanyl)-3-nitro-benzamide Openeye Name: 4-isobutylsulfanyl-N-(6-methoxy-3-pyridyl)-3-nitro-benzamide CAS Name: N-(6-methoxy-3-pyridinyl)-4-(2-methylpropylthio)-3-nitrobenzamide IUPAC Name: N-(6-methoxypyridin-3-yl)-4-(2-methylpropylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isobutylthio)-N-(6-methoxy-3-pyridyl)-3-nitro-benzamide Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S/c1-11(2)10-25-15-6-4-12(8-14(15)20(22)23)17(21)19-13-5-7-16(24-3)18-9-13/h4-9,11H,10H2,1-3H3,(H,19,21)