N-(4-methylsulfanylphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(4-methylsulfanylphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(4-methylsulfanylphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(methylthio)phenyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4-methylsulfanylphenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(methylthio)phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C18H19N3O3S/c1-25-15-7-4-13(5-8-15)19-18(22)16-12-14(21(23)24)6-9-17(16)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,19,22)