2-(pyridin-4-ylmethylsulfanyl)-1H-quinazolin-4-one

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)-1H-quinazolin-4-one Openeye Name: 2-(4-pyridylmethylsulfanyl)-1H-quinazolin-4-one CAS Name: 2-(pyridin-4-ylmethylthio)-1H-quinazolin-4-one IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)-1H-quinazolin-4-one Traditional Name: 2-(4-pyridylmethylthio)-1H-quinazolin-4-one Formula: C14H11N3OS MolecularWeight: 269.32164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC=NC=C3

InChI

InChI=1S/C14H11N3OS/c18-13-11-3-1-2-4-12(11)16-14(17-13)19-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17,18)