4-(3-methylbutylsulfanyl)-3-nitro-N-pyridin-2-yl-benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-pyridin-2-yl-benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-(2-pyridyl)benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-(2-pyridinyl)benzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-pyridin-2-ylbenzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-(2-pyridyl)benzamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3S/c1-12(2)8-10-24-15-7-6-13(11-14(15)20(22)23)17(21)19-16-5-3-4-9-18-16/h3-7,9,11-12H,8,10H2,1-2H3,(H,18,19,21)