4-(4-bromophenyl)-3-dodecan-2-ylsulfanyl-5-heptyl-1,2,4-triazole

Systemtic Name: 4-(4-bromophenyl)-3-dodecan-2-ylsulfanyl-5-heptyl-1,2,4-triazole Openeye Name: 4-(4-bromophenyl)-3-heptyl-5-(1-methylundecylsulfanyl)-1,2,4-triazole CAS Name: 4-(4-bromophenyl)-3-(dodecan-2-ylthio)-5-heptyl-1,2,4-triazole IUPAC Name: 4-(4-bromophenyl)-3-dodecan-2-ylsulfanyl-5-heptyl-1,2,4-triazole Traditional Name: 4-(4-bromophenyl)-3-heptyl-5-(1-methylundecylthio)-1,2,4-triazole Formula: C27H44BrN3S MolecularWeight: 522.62736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SC1=NN=C(N1C2=CC=C(C=C2)Br)CCCCCCC

Isomeric SMILES

CCCCCCCCCCC(C)SC1=NN=C(N1C2=CC=C(C=C2)Br)CCCCCCC

InChI

InChI=1S/C27H44BrN3S/c1-4-6-8-10-11-12-14-15-17-23(3)32-27-30-29-26(18-16-13-9-7-5-2)31(27)25-21-19-24(28)20-22-25/h19-23H,4-18H2,1-3H3