7-bromanyl-5-methoxy-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidine

Systemtic Name: 7-bromanyl-5-methoxy-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidine Openeye Name: 2-benzylsulfanyl-7-bromo-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine CAS Name: 7-bromo-5-methoxy-2-(phenylmethylthio)-[1,2,4]triazolo[1,5-c]pyrimidine IUPAC Name: 2-benzylsulfanyl-7-bromo-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine Traditional Name: 2-(benzylthio)-7-bromo-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine Formula: C13H11BrN4OS MolecularWeight: 351.22164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CC2=NC(=NN21)SCC3=CC=CC=C3)Br

Isomeric SMILES

COC1=NC(=CC2=NC(=NN21)SCC3=CC=CC=C3)Br

InChI

InChI=1S/C13H11BrN4OS/c1-19-13-15-10(14)7-11-16-12(17-18(11)13)20-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3