6-butyl-2-ethylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 6-butyl-2-ethylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-butyl-2-ethylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 6-butyl-2-(ethylthio)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-butyl-2-ethylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-butyl-2-(ethylthio)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C12H18N4OS MolecularWeight: 266.36252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C2N=C(NN2C1=O)SCC)C

Isomeric SMILES

CCCCC1=C(N=C2N=C(NN2C1=O)SCC)C

InChI

InChI=1S/C12H18N4OS/c1-4-6-7-9-8(3)13-11-14-12(18-5-2)15-16(11)10(9)17/h4-7H2,1-3H3,(H,13,14,15)