4-(4-bromophenyl)-3-heptadecyl-5-octadecylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(4-bromophenyl)-3-heptadecyl-5-octadecylsulfanyl-1,2,4-triazole Openeye Name: 4-(4-bromophenyl)-3-heptadecyl-5-octadecylsulfanyl-1,2,4-triazole CAS Name: 4-(4-bromophenyl)-3-heptadecyl-5-(octadecylthio)-1,2,4-triazole IUPAC Name: 4-(4-bromophenyl)-3-heptadecyl-5-octadecylsulfanyl-1,2,4-triazole Traditional Name: 4-(4-bromophenyl)-3-heptadecyl-5-(stearylthio)-1,2,4-triazole Formula: C43H76BrN3S MolecularWeight: 747.05264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C43H76BrN3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-48-43-46-45-42(47(43)41-37-35-40(44)36-38-41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38H,3-34,39H2,1-2H3