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

Systemtic Name: 3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(4-chloro-1-pyrazolyl)ethyl]-2-[(4-methoxyphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-(p-anisylthio)quinazolin-4-one Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

InChI

InChI=1S/C21H19ClN4O2S/c1-28-17-8-6-15(7-9-17)14-29-21-24-19-5-3-2-4-18(19)20(27)26(21)11-10-25-13-16(22)12-23-25/h2-9,12-13H,10-11,14H2,1H3