5,7-dimethyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 5,7-dimethyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinoline-3-carbonitrile Openeye Name: 5,7-dimethyl-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinoline-3-carbonitrile CAS Name: 5,7-dimethyl-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 5,7-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinoline-3-carbonitrile Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-5,7-dimethyl-quinoline-3-carbonitrile Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)N3CCCC3)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)N3CCCC3)C#N)C

InChI

InChI=1S/C18H19N3OS/c1-12-7-13(2)15-9-14(10-19)18(20-16(15)8-12)23-11-17(22)21-5-3-4-6-21/h7-9H,3-6,11H2,1-2H3