N-(2-methylphenyl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine

Systemtic Name: N-(2-methylphenyl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine Openeye Name: 5-methylsulfanyl-N-(o-tolyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine CAS Name: N-(2-methylphenyl)-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine IUPAC Name: N-(2-methylphenyl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine Traditional Name: [5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]-(o-tolyl)amine Formula: C13H13N5S MolecularWeight: 271.34082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN=C3N2C(=NC=C3)SC

Isomeric SMILES

CC1=CC=CC=C1NC2=NN=C3N2C(=NC=C3)SC

InChI

InChI=1S/C13H13N5S/c1-9-5-3-4-6-10(9)15-12-17-16-11-7-8-14-13(19-2)18(11)12/h3-8H,1-2H3,(H,15,17)