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

Systemtic Name: N-tert-butyl-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide Openeye Name: N-tert-butyl-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide CAS Name: N-tert-butyl-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]acetamide IUPAC Name: N-tert-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide Traditional Name: N-tert-butyl-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CS(=O)CC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CS(=O)CC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3

InChI

InChI=1S/C20H24N4O2S/c1-20(2,3)22-18(25)15-27(26)14-16-13-21-24(17-9-5-4-6-10-17)19(16)23-11-7-8-12-23/h4-13H,14-15H2,1-3H3,(H,22,25)