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

Systemtic Name: 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4,6-dimethoxy-pyrimidine Openeye Name: 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4,6-dimethoxy-pyrimidine CAS Name: 2-[5-[(4-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-4,6-dimethoxypyrimidine IUPAC Name: 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4,6-dimethoxypyrimidine Traditional Name: 2-[5-[(4-chlorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]-4,6-dimethoxy-pyrimidine Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O2S/c1-22-15(14-18-12(23-2)8-13(19-14)24-3)20-21-16(22)25-9-10-4-6-11(17)7-5-10/h4-8H,9H2,1-3H3