1-[(3S)-3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[(3S)-3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-3-quinoxalin-6-yl-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-3-(6-quinoxalinyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-5-quinoxalin-6-yl-3-(2-thienyl)-2-pyrazolin-1-yl]propan-1-one Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CCC(=O)N1[C@@H](CC(=N1)C2=CC=CS2)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C18H16N4OS/c1-2-18(23)22-16(11-15(21-22)17-4-3-9-24-17)12-5-6-13-14(10-12)20-8-7-19-13/h3-10,16H,2,11H2,1H3/t16-/m0/s1