3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-[2-(4-chloropyrazol-1-yl)ethyl]quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3-[2-(4-chloro-1-pyrazolyl)ethyl]-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-[2-(4-chloropyrazol-1-yl)ethyl]quinazolin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-[2-(4-chloropyrazol-1-yl)ethyl]quinazolin-4-one Formula: C20H16Cl2N4OS MolecularWeight: 431.33824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)CCN4C=C(C=N4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)CCN4C=C(C=N4)Cl

InChI

InChI=1S/C20H16Cl2N4OS/c21-15-5-3-4-14(10-15)13-28-20-24-18-7-2-1-6-17(18)19(27)26(20)9-8-25-12-16(22)11-23-25/h1-7,10-12H,8-9,13H2