3-(4-tert-butylphenyl)-5-dodecan-2-ylsulfanyl-4-hexyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-dodecan-2-ylsulfanyl-4-hexyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-hexyl-5-(1-methylundecylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-(dodecan-2-ylthio)-4-hexyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-dodecan-2-ylsulfanyl-4-hexyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-hexyl-5-(1-methylundecylthio)-1,2,4-triazole Formula: C30H51N3S MolecularWeight: 485.81104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SC1=NN=C(N1CCCCCC)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCC(C)SC1=NN=C(N1CCCCCC)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C30H51N3S/c1-7-9-11-13-14-15-16-17-19-25(3)34-29-32-31-28(33(29)24-18-12-10-8-2)26-20-22-27(23-21-26)30(4,5)6/h20-23,25H,7-19,24H2,1-6H3