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

Systemtic Name: 2-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[[4-(4-chlorophenyl)-5-sec-butylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine CAS Name: 2-[[5-(butan-2-ylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 2-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[4-(4-chlorophenyl)-5-(sec-butylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C17H18ClN5S2 MolecularWeight: 391.94132

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5S2/c1-3-12(2)25-17-22-21-15(11-24-16-19-9-4-10-20-16)23(17)14-7-5-13(18)6-8-14/h4-10,12H,3,11H2,1-2H3