5,7-dimethyl-3-pentylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine

Systemtic Name: 5,7-dimethyl-3-pentylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine Openeye Name: 5,7-dimethyl-3-pentylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine CAS Name: 5,7-dimethyl-3-(pentylthio)-[1,2,4]triazolo[4,3-a]pyrimidine IUPAC Name: 5,7-dimethyl-3-pentylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine Traditional Name: 3-(amylthio)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine Formula: C12H18N4S MolecularWeight: 250.36312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NN=C2N1C(=CC(=N2)C)C

Isomeric SMILES

CCCCCSC1=NN=C2N1C(=CC(=N2)C)C

InChI

InChI=1S/C12H18N4S/c1-4-5-6-7-17-12-15-14-11-13-9(2)8-10(3)16(11)12/h8H,4-7H2,1-3H3