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

Systemtic Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)CS(=O)CC(=O)NCCC3=CC=CS3)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)CS(=O)CC(=O)NCCC3=CC=CS3)N4C=CC=C4

InChI

InChI=1S/C22H22N4O2S2/c27-21(23-11-10-20-9-6-14-29-20)17-30(28)16-18-15-24-26(19-7-2-1-3-8-19)22(18)25-12-4-5-13-25/h1-9,12-15H,10-11,16-17H2,(H,23,27)