3-butan-2-yl-5-(dodecyldisulfanyl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-butan-2-yl-5-(dodecyldisulfanyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(dodecyldisulfanyl)-5-sec-butyl-1,2,4-triazole CAS Name: 3-butan-2-yl-5-(dodecyldisulfanyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-butan-2-yl-5-(dodecyldisulfanyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(lauryldisulfanyl)-5-sec-butyl-1,2,4-triazole Formula: C25H41N3S2 MolecularWeight: 447.74314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSSC1=NN=C(N1CC2=CC=CC=C2)C(C)CC

Isomeric SMILES

CCCCCCCCCCCCSSC1=NN=C(N1CC2=CC=CC=C2)C(C)CC

InChI

InChI=1S/C25H41N3S2/c1-4-6-7-8-9-10-11-12-13-17-20-29-30-25-27-26-24(22(3)5-2)28(25)21-23-18-15-14-16-19-23/h14-16,18-19,22H,4-13,17,20-21H2,1-3H3