4-(3-methylbutylsulfanyl)-N-(6-methylpyridin-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-N-(6-methylpyridin-2-yl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-(6-methyl-2-pyridyl)-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-N-(6-methyl-2-pyridinyl)-3-nitrobenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-N-(6-methylpyridin-2-yl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-(6-methyl-2-pyridyl)-3-nitro-benzamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-12(2)9-10-25-16-8-7-14(11-15(16)21(23)24)18(22)20-17-6-4-5-13(3)19-17/h4-8,11-12H,9-10H2,1-3H3,(H,19,20,22)