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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CS3)C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CS3)C4=CC5=NC=CN=C5C=C4

InChI

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