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

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

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

Isomeric SMILES

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

InChI

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