6-[3-(3-methylsulfanylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one

Systemtic Name: 6-[3-(3-methylsulfanylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one Openeye Name: 6-[3-(3-methylsulfanylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one CAS Name: 3-[(4-methylsulfonylphenyl)methyl]-6-[3-[3-(methylthio)phenyl]prop-1-ynyl]-4-quinazolinone IUPAC Name: 6-[3-(3-methylsulfanylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one Traditional Name: 3-(4-mesylbenzyl)-6-[3-[3-(methylthio)phenyl]prop-1-ynyl]quinazolin-4-one Formula: C26H22N2O3S2 MolecularWeight: 474.59448

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C26H22N2O3S2/c1-32-22-8-4-7-19(15-22)5-3-6-20-11-14-25-24(16-20)26(29)28(18-27-25)17-21-9-12-23(13-10-21)33(2,30)31/h4,7-16,18H,5,17H2,1-2H3