7-phenyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

Systemtic Name: 7-phenyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine Openeye Name: 7-phenyl-3-(3-pyridylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine CAS Name: 7-phenyl-3-(3-pyridinylmethylthio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine IUPAC Name: 7-phenyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine Traditional Name: [7-phenyl-3-(3-pyridylmethylthio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amine Formula: C17H14N6S MolecularWeight: 334.39826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=NN=C(N3C(=N2)N)SCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=NN=C(N3C(=N2)N)SCC4=CN=CC=C4

InChI

InChI=1S/C17H14N6S/c18-16-20-14(13-6-2-1-3-7-13)9-15-21-22-17(23(15)16)24-11-12-5-4-8-19-10-12/h1-10H,11H2,(H2,18,20)