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

Systemtic Name: 2-[[5-butylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[[5-butylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[5-(butylthio)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[5-butylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[5-(butylthio)-4-p-phenetyl-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C21H27N5OS2 MolecularWeight: 429.60198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5OS2/c1-5-7-12-28-21-25-24-19(14-29-20-22-15(3)13-16(4)23-20)26(21)17-8-10-18(11-9-17)27-6-2/h8-11,13H,5-7,12,14H2,1-4H3