4,6-dimethoxy-2-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrimidine

Systemtic Name: 4,6-dimethoxy-2-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrimidine Openeye Name: 2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-4,6-dimethoxy-pyrimidine CAS Name: 4,6-dimethoxy-2-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]pyrimidine IUPAC Name: 2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-4,6-dimethoxypyrimidine Traditional Name: 2-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-4,6-dimethoxy-pyrimidine Formula: C16H17N5O2S MolecularWeight: 343.40348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C16H17N5O2S/c1-21-15(14-17-12(22-2)9-13(18-14)23-3)19-20-16(21)24-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3