4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethyl-pyrimidine

Systemtic Name: 4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethyl-pyrimidine Openeye Name: 4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethyl-pyrimidine CAS Name: 4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-2,6-dimethylpyrimidine IUPAC Name: 4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethylpyrimidine Traditional Name: 4-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-2,6-dimethyl-pyrimidine Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=NC(=N1)C)SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H23N5OS/c1-16-15-21(25-17(2)24-16)30-23-27-26-22(19-11-7-8-12-20(19)29-3)28(23)14-13-18-9-5-4-6-10-18/h4-12,15H,13-14H2,1-3H3