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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)OCC)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)OCC)CSC3=NC(=CC(=N3)C)C

InChI

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