2-[[4-(4-ethoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[5-(isopropylthio)-4-p-phenetyl-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C20H25N5OS2 MolecularWeight: 415.5754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H25N5OS2/c1-6-26-17-9-7-16(8-10-17)25-18(23-24-20(25)28-13(2)3)12-27-19-21-14(4)11-15(5)22-19/h7-11,13H,6,12H2,1-5H3