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

Systemtic Name: 6-[5-(4-methylsulfanylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline Openeye Name: 6-[5-(4-methylsulfanylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline CAS Name: 6-[2-methylsulfonyl-5-[4-(methylthio)phenyl]-3,4-dihydropyrazol-3-yl]quinoxaline IUPAC Name: 6-[5-(4-methylsulfanylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline Traditional Name: 6-[2-mesyl-5-[4-(methylthio)phenyl]-2-pyrazolin-3-yl]quinoxaline Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H18N4O2S2/c1-26-15-6-3-13(4-7-15)17-12-19(23(22-17)27(2,24)25)14-5-8-16-18(11-14)21-10-9-20-16/h3-11,19H,12H2,1-2H3