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

Systemtic Name: 3-phenethyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-phenethyl-2-(2-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-phenethyl-2-(2-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-phenethyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-phenethyl-2-(2-pyridylmethylthio)quinazolin-4-one Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=N4

InChI

InChI=1S/C22H19N3OS/c26-21-19-11-4-5-12-20(19)24-22(27-16-18-10-6-7-14-23-18)25(21)15-13-17-8-2-1-3-9-17/h1-12,14H,13,15-16H2