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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=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/C26H22N2O3S/c1-19-5-3-6-20(15-19)7-4-8-21-11-14-25-24(16-21)26(29)28(18-27-25)17-22-9-12-23(13-10-22)32(2,30)31/h3,5-6,9-16,18H,7,17H2,1-2H3