3-(dodecyldisulfanyl)-4-hexyl-5-(4-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-(dodecyldisulfanyl)-4-hexyl-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-(dodecyldisulfanyl)-4-hexyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(dodecyldisulfanyl)-4-hexyl-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-(dodecyldisulfanyl)-4-hexyl-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 4-hexyl-3-(lauryldisulfanyl)-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C27H45N3OS2 MolecularWeight: 491.7957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSSC1=NN=C(N1CCCCCC)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCCCCCSSC1=NN=C(N1CCCCCC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C27H45N3OS2/c1-4-6-8-10-11-12-13-14-15-17-23-32-33-27-29-28-26(30(27)22-16-9-7-5-2)24-18-20-25(31-3)21-19-24/h18-21H,4-17,22-23H2,1-3H3