N-(oxolan-2-ylmethyl)-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide

Systemtic Name: N-(oxolan-2-ylmethyl)-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide Openeye Name: 3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-N-(tetrahydrofuran-2-ylmethyl)propanamide CAS Name: N-(2-oxolanylmethyl)-3-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]propanamide IUPAC Name: N-(oxolan-2-ylmethyl)-3-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]propanamide Traditional Name: 3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]-N-(tetrahydrofurfuryl)propionamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CCSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CC(OC1)CNC(=O)CCSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H26N4O2S/c27-21(23-16-20-9-6-13-28-20)10-14-29-17-18-15-24-26(19-7-2-1-3-8-19)22(18)25-11-4-5-12-25/h1-5,7-8,11-12,15,20H,6,9-10,13-14,16-17H2,(H,23,27)