2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-(3,4-dimethoxyphenyl)quinazolin-4-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-(3,4-dimethoxyphenyl)quinazolin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-(3,4-dimethoxyphenyl)quinazolin-4-one CAS Name: 2-(1,3-benzoxazol-2-ylmethylthio)-3-(3,4-dimethoxyphenyl)-4-quinazolinone IUPAC Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-(3,4-dimethoxyphenyl)quinazolin-4-one Traditional Name: 2-(1,3-benzoxazol-2-ylmethylthio)-3-(3,4-dimethoxyphenyl)quinazolin-4-one Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5O4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5O4)OC

InChI

InChI=1S/C24H19N3O4S/c1-29-20-12-11-15(13-21(20)30-2)27-23(28)16-7-3-4-8-17(16)26-24(27)32-14-22-25-18-9-5-6-10-19(18)31-22/h3-13H,14H2,1-2H3