3-(4-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(p-tolyl)-2-(4-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-(pyridin-4-ylmethylthio)-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(p-tolyl)-2-(4-pyridylmethylthio)quinazolin-4-one Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=NC=C4

InChI

InChI=1S/C21H17N3OS/c1-15-6-8-17(9-7-15)24-20(25)18-4-2-3-5-19(18)23-21(24)26-14-16-10-12-22-13-11-16/h2-13H,14H2,1H3