7-chloranyl-3-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-isopropyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-propan-2-yl-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-isopropyl-2-[(4-pyrazol-1-ylbenzyl)thio]quinazolin-4-one Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H19ClN4OS/c1-14(2)26-20(27)18-9-6-16(22)12-19(18)24-21(26)28-13-15-4-7-17(8-5-15)25-11-3-10-23-25/h3-12,14H,13H2,1-2H3