1-methyl-5-oxidanylidene-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-2-pyridin-3-yl-pyrrolidine-3-carboxamide

Systemtic Name: 1-methyl-5-oxidanylidene-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-2-pyridin-3-yl-pyrrolidine-3-carboxamide Openeye Name: 1-methyl-5-oxo-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-2-(3-pyridyl)pyrrolidine-3-carboxamide CAS Name: 1-methyl-5-oxo-N-[1-[(phenylthio)methyl]-4-pyrazolyl]-2-(3-pyridinyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-methyl-5-oxo-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-2-pyridin-3-ylpyrrolidine-3-carboxamide Traditional Name: 5-keto-1-methyl-N-[1-[(phenylthio)methyl]pyrazol-4-yl]-2-(3-pyridyl)pyrrolidine-3-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(CC1=O)C(=O)NC2=CN(N=C2)CSC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CN1C(C(CC1=O)C(=O)NC2=CN(N=C2)CSC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-25-19(27)10-18(20(25)15-6-5-9-22-11-15)21(28)24-16-12-23-26(13-16)14-29-17-7-3-2-4-8-17/h2-9,11-13,18,20H,10,14H2,1H3,(H,24,28)