2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-3-(3-pyridylmethyl)quinazolin-4-one CAS Name: 2-[2-(4-chlorophenyl)sulfonylethylthio]-3-(3-pyridinylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one Traditional Name: 2-[2-(4-chlorophenyl)sulfonylethylthio]-3-(3-pyridylmethyl)quinazolin-4-one Formula: C22H18ClN3O3S2 MolecularWeight: 471.97962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCS(=O)(=O)C3=CC=C(C=C3)Cl)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCS(=O)(=O)C3=CC=C(C=C3)Cl)CC4=CN=CC=C4

InChI

InChI=1S/C22H18ClN3O3S2/c23-17-7-9-18(10-8-17)31(28,29)13-12-30-22-25-20-6-2-1-5-19(20)21(27)26(22)15-16-4-3-11-24-14-16/h1-11,14H,12-13,15H2