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

Systemtic Name: 6-[3-(4-chlorophenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one Openeye Name: 6-[3-(4-chlorophenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one CAS Name: 6-[3-(4-chlorophenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]-4-quinazolinone IUPAC Name: 6-[3-(4-chlorophenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one Traditional Name: 6-[3-(4-chlorophenyl)prop-1-ynyl]-3-(4-mesylbenzyl)quinazolin-4-one Formula: C25H19ClN2O3S MolecularWeight: 462.94796

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)C#CCC4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)C#CCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H19ClN2O3S/c1-32(30,31)22-12-7-20(8-13-22)16-28-17-27-24-14-9-19(15-23(24)25(28)29)4-2-3-18-5-10-21(26)11-6-18/h5-15,17H,3,16H2,1H3