6-chloranyl-3-prop-2-enyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-prop-2-enyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-3-prop-2-enyl-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 6-chloro-3-prop-2-enyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[(4-pyrazol-1-ylbenzyl)thio]quinazolin-4-one Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H17ClN4OS/c1-2-11-25-20(27)18-13-16(22)6-9-19(18)24-21(25)28-14-15-4-7-17(8-5-15)26-12-3-10-23-26/h2-10,12-13H,1,11,14H2