2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(3-pyridylmethyl)quinazolin-4-one CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-3-(3-pyridinylmethyl)-4-quinazolinone IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-3-(3-pyridylmethyl)quinazolin-4-one Formula: C21H15Cl2N3OS MolecularWeight: 428.3343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=C(C=C3)Cl)Cl)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=C(C=C3)Cl)Cl)CC4=CN=CC=C4

InChI

InChI=1S/C21H15Cl2N3OS/c22-17-8-7-14(10-18(17)23)13-28-21-25-19-6-2-1-5-16(19)20(27)26(21)12-15-4-3-9-24-11-15/h1-11H,12-13H2