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

Systemtic Name: 2-[[4-(4-fluorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[[4-(4-fluorophenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine CAS Name: 2-[[4-(4-fluorophenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 2-[[4-(4-fluorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[4-(4-fluorophenyl)-5-(isopropylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C16H16FN5S2 MolecularWeight: 361.460143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FN5S2/c1-11(2)24-16-21-20-14(10-23-15-18-8-3-9-19-15)22(16)13-6-4-12(17)5-7-13/h3-9,11H,10H2,1-2H3