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

Systemtic Name: 3-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-cyclopropyl-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-cyclopropyl-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:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C21H18N4OS/c26-20-18-4-1-2-5-19(18)23-21(25(20)17-10-11-17)27-14-15-6-8-16(9-7-15)24-13-3-12-22-24/h1-9,12-13,17H,10-11,14H2