4,6-bis[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 4,6-bis[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-pyrimidine Openeye Name: 4,6-bis[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-pyrimidine CAS Name: 4,6-bis[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-(methylthio)pyrimidine IUPAC Name: 4,6-bis[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine Traditional Name: 4,6-bis[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-(methylthio)pyrimidine Formula: C29H32N8S3 MolecularWeight: 588.81298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)SC3=CC(=NC(=N3)SC)SC4=NNC(=N4)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)SC3=CC(=NC(=N3)SC)SC4=NNC(=N4)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C29H32N8S3/c1-28(2,3)19-12-8-17(9-13-19)23-32-26(36-34-23)39-21-16-22(31-25(30-21)38-7)40-27-33-24(35-37-27)18-10-14-20(15-11-18)29(4,5)6/h8-16H,1-7H3,(H,32,34,36)(H,33,35,37)