N,N-diethyl-3-nitro-4-(pyridin-4-ylmethylsulfanyl)benzamide

Systemtic Name: N,N-diethyl-3-nitro-4-(pyridin-4-ylmethylsulfanyl)benzamide Openeye Name: N,N-diethyl-3-nitro-4-(4-pyridylmethylsulfanyl)benzamide CAS Name: N,N-diethyl-3-nitro-4-(pyridin-4-ylmethylthio)benzamide IUPAC Name: N,N-diethyl-3-nitro-4-(pyridin-4-ylmethylsulfanyl)benzamide Traditional Name: N,N-diethyl-3-nitro-4-(4-pyridylmethylthio)benzamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=C(C=C1)SCC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=C(C=C1)SCC2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3S/c1-3-19(4-2)17(21)14-5-6-16(15(11-14)20(22)23)24-12-13-7-9-18-10-8-13/h5-11H,3-4,12H2,1-2H3