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

Systemtic Name: 3-prop-2-enyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-allyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-prop-2-enyl-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-prop-2-enyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-allyl-2-[(4-pyrazol-1-ylbenzyl)thio]quinazolin-4-one Formula: C21H18N4OS MolecularWeight: 374.45882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H18N4OS/c1-2-13-24-20(26)18-6-3-4-7-19(18)23-21(24)27-15-16-8-10-17(11-9-16)25-14-5-12-22-25/h2-12,14H,1,13,15H2