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

Systemtic Name: 6-[3-(4-methylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one Openeye Name: 3-[(4-methylsulfonylphenyl)methyl]-6-[3-(p-tolyl)prop-1-ynyl]quinazolin-4-one CAS Name: 6-[3-(4-methylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]-4-quinazolinone IUPAC Name: 6-[3-(4-methylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one Traditional Name: 3-(4-mesylbenzyl)-6-[3-(p-tolyl)prop-1-ynyl]quinazolin-4-one Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C26H22N2O3S/c1-19-6-8-20(9-7-19)4-3-5-21-12-15-25-24(16-21)26(29)28(18-27-25)17-22-10-13-23(14-11-22)32(2,30)31/h6-16,18H,4,17H2,1-2H3