3-nitro-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzenecarbonitrile

Systemtic Name: 3-nitro-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzenecarbonitrile Openeye Name: 3-nitro-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzonitrile CAS Name: 3-nitro-4-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzonitrile IUPAC Name: 3-nitro-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzonitrile Traditional Name: 4-[(2-keto-2-pyrrolidino-ethyl)thio]-3-nitro-benzonitrile Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c14-8-10-3-4-12(11(7-10)16(18)19)20-9-13(17)15-5-1-2-6-15/h3-4,7H,1-2,5-6,9H2