[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [2-(3,4-dimethylphenyl)sulfanyl-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[(3,4-dimethylphenyl)thio]-3-pyridyl]-pyrrolidino-methanone Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCCC3)C

InChI

InChI=1S/C18H20N2OS/c1-13-7-8-15(12-14(13)2)22-17-16(6-5-9-19-17)18(21)20-10-3-4-11-20/h5-9,12H,3-4,10-11H2,1-2H3