8-methyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]quinazolin-4-one

Systemtic Name: 8-methyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]quinazolin-4-one Openeye Name: 8-methyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]quinazolin-4-one CAS Name: 8-methyl-3-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]-4-quinazolinone IUPAC Name: 8-methyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]quinazolin-4-one Traditional Name: 8-methyl-3-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]quinazolin-4-one Formula: C13H13N5OS MolecularWeight: 287.34022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCSC3=NC=NN3

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCSC3=NC=NN3

InChI

InChI=1S/C13H13N5OS/c1-9-3-2-4-10-11(9)15-8-18(12(10)19)5-6-20-13-14-7-16-17-13/h2-4,7-8H,5-6H2,1H3,(H,14,16,17)