5-(2-methylpropylsulfanyl)-7-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine

Systemtic Name: 5-(2-methylpropylsulfanyl)-7-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine Openeye Name: 5-isobutylsulfanyl-7-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine CAS Name: 5-(2-methylpropylthio)-7-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine IUPAC Name: 5-(2-methylpropylsulfanyl)-7-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine Traditional Name: 5-(isobutylthio)-7-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine Formula: C15H16N4S MolecularWeight: 284.37934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC(=NC2=NN=CN12)C3=CC=CC=C3

Isomeric SMILES

CC(C)CSC1=CC(=NC2=NN=CN12)C3=CC=CC=C3

InChI

InChI=1S/C15H16N4S/c1-11(2)9-20-14-8-13(12-6-4-3-5-7-12)17-15-18-16-10-19(14)15/h3-8,10-11H,9H2,1-2H3