N-(3-methylbutyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(3-methylbutyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-isopentyl-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-(3-methylbutyl)-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-isoamyl-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSCC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)CSCC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3

InChI

InChI=1S/C21H26N4OS/c1-17(2)10-11-22-20(26)16-27-15-18-14-23-25(19-8-4-3-5-9-19)21(18)24-12-6-7-13-24/h3-9,12-14,17H,10-11,15-16H2,1-2H3,(H,22,26)