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

Systemtic Name: 3-(3-methoxyphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-2-[(4-pyrazol-1-ylbenzyl)thio]quinazolin-4-one Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C25H20N4O2S/c1-31-21-7-4-6-20(16-21)29-24(30)22-8-2-3-9-23(22)27-25(29)32-17-18-10-12-19(13-11-18)28-15-5-14-26-28/h2-16H,17H2,1H3