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

Systemtic Name: N-butyl-N-methyl-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide Openeye Name: N-butyl-N-methyl-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide CAS Name: N-butyl-N-methyl-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]acetamide IUPAC Name: N-butyl-N-methyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide Traditional Name: N-butyl-N-methyl-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-3-4-12-23(2)20(26)17-28(27)16-18-15-22-25(19-10-6-5-7-11-19)21(18)24-13-8-9-14-24/h5-11,13-15H,3-4,12,16-17H2,1-2H3