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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[[4-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine CAS Name: 2-[[4-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 2-[[4-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[4-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C14H12ClN5S2 MolecularWeight: 349.86158

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC=C(C=C2)Cl)CSC3=NC=CC=N3

Isomeric SMILES

CSC1=NN=C(N1C2=CC=C(C=C2)Cl)CSC3=NC=CC=N3

InChI

InChI=1S/C14H12ClN5S2/c1-21-14-19-18-12(9-22-13-16-7-2-8-17-13)20(14)11-5-3-10(15)4-6-11/h2-8H,9H2,1H3