N-[2-(1H-imidazol-5-yl)ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide

Systemtic Name: N-[2-(1H-imidazol-5-yl)ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide Openeye Name: N-[2-(1H-imidazol-5-yl)ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide CAS Name: N-[2-(1H-imidazol-5-yl)ethyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]acetamide IUPAC Name: N-[2-(1H-imidazol-5-yl)ethyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide Traditional Name: N-[2-(1H-imidazol-5-yl)ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)CS(=O)CC(=O)NCCC3=CN=CN3)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)CS(=O)CC(=O)NCCC3=CN=CN3)N4C=CC=C4

InChI

InChI=1S/C21H22N6O2S/c28-20(23-9-8-18-13-22-16-24-18)15-30(29)14-17-12-25-27(19-6-2-1-3-7-19)21(17)26-10-4-5-11-26/h1-7,10-13,16H,8-9,14-15H2,(H,22,24)(H,23,28)