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

Systemtic Name: 2-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[[4-(4-chlorophenyl)-5-sec-butylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[5-(butan-2-ylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[4-(4-chlorophenyl)-5-(sec-butylthio)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C19H22ClN5S2 MolecularWeight: 419.99448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5S2/c1-5-14(4)27-19-24-23-17(25(19)16-8-6-15(20)7-9-16)11-26-18-21-12(2)10-13(3)22-18/h6-10,14H,5,11H2,1-4H3