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

Systemtic Name: 2-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[5-(butylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[5-(butylthio)-4-(4-methoxyphenyl)-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:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)OC)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)OC)CSC3=NC(=CC(=N3)C)C

InChI

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