1-[3-(3-methoxy-2-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]butan-1-one

Systemtic Name: 1-[3-(3-methoxy-2-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[3-(2-hydroxy-3-methoxy-phenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[3-(2-hydroxy-3-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[3-(2-hydroxy-3-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[5-(2-hydroxy-3-methoxy-phenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]butan-1-one Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=C(C(=CC=C3)OC)O

Isomeric SMILES

CCCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C18H20N2O3S/c1-3-6-17(21)20-14(11-13(19-20)16-9-5-10-24-16)12-7-4-8-15(23-2)18(12)22/h4-5,7-10,14,22H,3,6,11H2,1-2H3