6-[3-(3-methylsulfanylphenyl)-4-(4-methylsulfonylphenyl)but-1-ynyl]-1H-quinazolin-4-one

Systemtic Name: 6-[3-(3-methylsulfanylphenyl)-4-(4-methylsulfonylphenyl)but-1-ynyl]-1H-quinazolin-4-one Openeye Name: 6-[3-(3-methylsulfanylphenyl)-4-(4-methylsulfonylphenyl)but-1-ynyl]-1H-quinazolin-4-one CAS Name: 6-[4-(4-methylsulfonylphenyl)-3-[3-(methylthio)phenyl]but-1-ynyl]-1H-quinazolin-4-one IUPAC Name: 6-[3-(3-methylsulfanylphenyl)-4-(4-methylsulfonylphenyl)but-1-ynyl]-1H-quinazolin-4-one Traditional Name: 6-[4-(4-mesylphenyl)-3-[3-(methylthio)phenyl]but-1-ynyl]-1H-quinazolin-4-one Formula: C26H22N2O3S2 MolecularWeight: 474.59448

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C(CC2=CC=C(C=C2)S(=O)(=O)C)C#CC3=CC4=C(C=C3)NC=NC4=O

Isomeric SMILES

CSC1=CC=CC(=C1)C(CC2=CC=C(C=C2)S(=O)(=O)C)C#CC3=CC4=C(C=C3)NC=NC4=O

InChI

InChI=1S/C26H22N2O3S2/c1-32-22-5-3-4-20(16-22)21(14-18-7-11-23(12-8-18)33(2,30)31)10-6-19-9-13-25-24(15-19)26(29)28-17-27-25/h3-5,7-9,11-13,15-17,21H,14H2,1-2H3,(H,27,28,29)