1-morpholin-4-yl-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propan-1-one

Systemtic Name: 1-morpholin-4-yl-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propan-1-one Openeye Name: 1-morpholino-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propan-1-one CAS Name: 1-(4-morpholinyl)-3-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]-1-propanone IUPAC Name: 1-morpholin-4-yl-3-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]propan-1-one Traditional Name: 1-morpholino-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]propan-1-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

C1COCCN1C(=O)CCSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H24N4O2S/c26-20(23-11-13-27-14-12-23)8-15-28-17-18-16-22-25(19-6-2-1-3-7-19)21(18)24-9-4-5-10-24/h1-7,9-10,16H,8,11-15,17H2