(2S)-1-[2-(4-methylphenyl)sulfanylpyridin-3-yl]carbonylpyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[2-(4-methylphenyl)sulfanylpyridin-3-yl]carbonylpyrrolidine-2-carboxamide Openeye Name: (2S)-1-[2-(p-tolylsulfanyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[2-[(4-methylphenyl)thio]-3-pyridinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[2-(4-methylphenyl)sulfanylpyridine-3-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[2-(p-tolylthio)nicotinoyl]pyrrolidine-2-carboxamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCCC3C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCC[C@H]3C(=O)N

InChI

InChI=1S/C18H19N3O2S/c1-12-6-8-13(9-7-12)24-17-14(4-2-10-20-17)18(23)21-11-3-5-15(21)16(19)22/h2,4,6-10,15H,3,5,11H2,1H3,(H2,19,22)/t15-/m0/s1