phenyl-[(3S)-3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone

Systemtic Name: phenyl-[(3S)-3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone Openeye Name: phenyl-[(3S)-3-quinoxalin-6-yl-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]methanone CAS Name: phenyl-[(3S)-3-(6-quinoxalinyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone IUPAC Name: phenyl-[(3S)-3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone Traditional Name: phenyl-[(5S)-5-quinoxalin-6-yl-3-(2-thienyl)-2-pyrazolin-1-yl]methanone Formula: C22H16N4OS MolecularWeight: 384.45364

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C22H16N4OS/c27-22(15-5-2-1-3-6-15)26-20(14-19(25-26)21-7-4-12-28-21)16-8-9-17-18(13-16)24-11-10-23-17/h1-13,20H,14H2/t20-/m0/s1