N-(3-methylsulfanylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3-methylsulfanylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-methylsulfanylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-(methylthio)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-methylsulfanylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(methylthio)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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