6-ethoxy-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 6-ethoxy-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 2-benzylsulfanyl-6-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 6-ethoxy-2-(phenylmethylthio)-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 2-benzylsulfanyl-6-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 2-(benzylthio)-6-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C14H14N4OS MolecularWeight: 286.35216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN2C(=NC(=N2)SCC3=CC=CC=C3)N=C1

Isomeric SMILES

CCOC1=CN2C(=NC(=N2)SCC3=CC=CC=C3)N=C1

InChI

InChI=1S/C14H14N4OS/c1-2-19-12-8-15-13-16-14(17-18(13)9-12)20-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3