N-cyclopentyl-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide

Systemtic Name: N-cyclopentyl-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide Openeye Name: N-cyclopentyl-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide CAS Name: N-cyclopentyl-3-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]propanamide IUPAC Name: N-cyclopentyl-3-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]propanamide Traditional Name: N-cyclopentyl-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CCSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)CCSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H26N4OS/c27-21(24-19-8-4-5-9-19)12-15-28-17-18-16-23-26(20-10-2-1-3-11-20)22(18)25-13-6-7-14-25/h1-3,6-7,10-11,13-14,16,19H,4-5,8-9,12,15,17H2,(H,24,27)