3-phenyl-7-(pyridin-3-ylmethylsulfanyl)-[1,2,3]triazolo[4,5-d]pyrimidine

Systemtic Name: 3-phenyl-7-(pyridin-3-ylmethylsulfanyl)-[1,2,3]triazolo[4,5-d]pyrimidine Openeye Name: 3-phenyl-7-(3-pyridylmethylsulfanyl)triazolo[4,5-d]pyrimidine CAS Name: 3-phenyl-7-(3-pyridinylmethylthio)triazolo[4,5-d]pyrimidine IUPAC Name: 3-phenyl-7-(pyridin-3-ylmethylsulfanyl)triazolo[4,5-d]pyrimidine Traditional Name: 3-phenyl-7-(3-pyridylmethylthio)triazolo[4,5-d]pyrimidine Formula: C16H12N6S MolecularWeight: 320.37168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC4=CN=CC=C4)N=N2

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC4=CN=CC=C4)N=N2

InChI

InChI=1S/C16H12N6S/c1-2-6-13(7-3-1)22-15-14(20-21-22)16(19-11-18-15)23-10-12-5-4-8-17-9-12/h1-9,11H,10H2