6-[(3S)-5-(4-ethylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline

Systemtic Name: 6-[(3S)-5-(4-ethylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline Openeye Name: 6-[(3S)-5-(4-ethylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline CAS Name: 6-[(3S)-5-(4-ethylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline IUPAC Name: 6-[(3S)-5-(4-ethylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline Traditional Name: 6-[(3S)-5-(4-ethylphenyl)-2-mesyl-2-pyrazolin-3-yl]quinoxaline Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC4=NC=CN=C4C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20N4O2S/c1-3-14-4-6-15(7-5-14)18-13-20(24(23-18)27(2,25)26)16-8-9-17-19(12-16)22-11-10-21-17/h4-12,20H,3,13H2,1-2H3/t20-/m0/s1