2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-4,6-dimethyl-pyrimidine Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C22H21N5O2S/c1-15-13-16(2)24-21(23-15)30-22-26-25-20(27(22)17-7-5-4-6-8-17)14-29-19-11-9-18(28-3)10-12-19/h4-13H,14H2,1-3H3