4,6-dimethyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]nicotinonitrile Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C(=O)N3CCCC3)C

InChI

InChI=1S/C20H21N3OS/c1-14-11-15(2)22-19(18(14)12-21)25-13-16-5-7-17(8-6-16)20(24)23-9-3-4-10-23/h5-8,11H,3-4,9-10,13H2,1-2H3