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

Systemtic Name: 6-[3-(3-chlorophenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one Openeye Name: 6-[3-(3-chlorophenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one CAS Name: 6-[3-(3-chlorophenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]-4-quinazolinone IUPAC Name: 6-[3-(3-chlorophenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one Traditional Name: 6-[3-(3-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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H19ClN2O3S/c1-32(30,31)22-11-8-20(9-12-22)16-28-17-27-24-13-10-19(15-23(24)25(28)29)5-2-4-18-6-3-7-21(26)14-18/h3,6-15,17H,4,16H2,1H3