5,8-dimethyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 5,8-dimethyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinoline-3-carbonitrile Openeye Name: 5,8-dimethyl-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinoline-3-carbonitrile CAS Name: 5,8-dimethyl-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 5,8-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinoline-3-carbonitrile Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-5,8-dimethyl-quinoline-3-carbonitrile Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3OS/c1-12-5-6-13(2)17-15(12)9-14(10-19)18(20-17)23-11-16(22)21-7-3-4-8-21/h5-6,9H,3-4,7-8,11H2,1-2H3