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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-[(4-pyrazol-1-ylbenzyl)thio]quinazolin-4-one Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O3S/c1-32-23-13-12-20(16-24(23)33-2)30-25(31)21-6-3-4-7-22(21)28-26(30)34-17-18-8-10-19(11-9-18)29-15-5-14-27-29/h3-16H,17H2,1-2H3