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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethylsulfanyl]pyrimidine Openeye Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethylsulfanyl]pyrimidine CAS Name: 2-[[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methylthio]pyrimidine IUPAC Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethylsulfanyl]pyrimidine Traditional Name: 2-[[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methylthio]pyrimidine Formula: C19H14ClN5S2 MolecularWeight: 411.93096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCSC4=NC=CC=N4

InChI

InChI=1S/C19H14ClN5S2/c20-15-7-9-16(10-8-15)25-17(14-5-2-1-3-6-14)23-24-19(25)27-13-26-18-21-11-4-12-22-18/h1-12H,13H2