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

Systemtic Name: 3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-[2-(4-chloropyrazol-1-yl)ethyl]quinazolin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3-[2-(4-chloro-1-pyrazolyl)ethyl]-4-quinazolinone IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-[2-(4-chloropyrazol-1-yl)ethyl]quinazolin-4-one Traditional Name: 2-[(2-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=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl)Cl

InChI

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