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

Systemtic Name: 3-butyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-butyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-butyl-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-butyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-butyl-2-[(4-pyrazol-1-ylbenzyl)thio]quinazolin-4-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H22N4OS/c1-2-3-14-25-21(27)19-7-4-5-8-20(19)24-22(25)28-16-17-9-11-18(12-10-17)26-15-6-13-23-26/h4-13,15H,2-3,14,16H2,1H3