N-[1-[2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[1-[2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[1-[2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]pyrazol-4-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[1-[2-[(2R)-2-(3-methoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-4-pyrazolyl]-2-(phenylthio)acetamide IUPAC Name: N-[1-[2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide Traditional Name: N-[1-[2-keto-2-[(2R)-2-(3-methoxyphenyl)pyrrolidino]ethyl]pyrazol-4-yl]-2-(phenylthio)acetamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCCN2C(=O)CN3C=C(C=N3)NC(=O)CSC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2CCCN2C(=O)CN3C=C(C=N3)NC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3S/c1-31-20-8-5-7-18(13-20)22-11-6-12-28(22)24(30)16-27-15-19(14-25-27)26-23(29)17-32-21-9-3-2-4-10-21/h2-5,7-10,13-15,22H,6,11-12,16-17H2,1H3,(H,26,29)/t22-/m1/s1