2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-(2-pyridylmethyl)acetamide CAS Name: 2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-(2-pyridylmethyl)acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)CS(=O)CC(=O)NCC3=CC=CC=N3)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)CS(=O)CC(=O)NCC3=CC=CC=N3)N4C=CC=C4

InChI

InChI=1S/C22H21N5O2S/c28-21(24-15-19-8-4-5-11-23-19)17-30(29)16-18-14-25-27(20-9-2-1-3-10-20)22(18)26-12-6-7-13-26/h1-14H,15-17H2,(H,24,28)