3-(2-methylphenyl)-2-(phenylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(2-methylphenyl)-2-(phenylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-(o-tolyl)benzofuro[3,2-d]pyrimidin-4-one CAS Name: 3-(2-methylphenyl)-2-(phenylmethylthio)-4-benzofuro[3,2-d]pyrimidinone IUPAC Name: 2-benzylsulfanyl-3-(2-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-3-(o-tolyl)benzofuro[3,2-d]pyrimidin-4-one Formula: C24H18N2O2S MolecularWeight: 398.47692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4O3)N=C2SCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4O3)N=C2SCC5=CC=CC=C5

InChI

InChI=1S/C24H18N2O2S/c1-16-9-5-7-13-19(16)26-23(27)22-21(18-12-6-8-14-20(18)28-22)25-24(26)29-15-17-10-3-2-4-11-17/h2-14H,15H2,1H3