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

Systemtic Name: 3-butyl-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-butyl-2-(4-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-butyl-2-(pyridin-4-ylmethylthio)-4-quinazolinone IUPAC Name: 3-butyl-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-butyl-2-(4-pyridylmethylthio)quinazolin-4-one Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=NC=C3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=NC=C3

InChI

InChI=1S/C18H19N3OS/c1-2-3-12-21-17(22)15-6-4-5-7-16(15)20-18(21)23-13-14-8-10-19-11-9-14/h4-11H,2-3,12-13H2,1H3