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

Systemtic Name: N-butan-2-yl-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-butan-2-yl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]-N-sec-butyl-acetamide Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4OS/c1-3-16(2)22-19(25)15-26-14-17-13-21-24(18-9-5-4-6-10-18)20(17)23-11-7-8-12-23/h4-13,16H,3,14-15H2,1-2H3,(H,22,25)