4-[3-(4-tert-butylphenyl)-5-(dodecyldisulfanyl)-1,2,4-triazol-4-yl]pyridine

Systemtic Name: 4-[3-(4-tert-butylphenyl)-5-(dodecyldisulfanyl)-1,2,4-triazol-4-yl]pyridine Openeye Name: 4-[3-(4-tert-butylphenyl)-5-(dodecyldisulfanyl)-1,2,4-triazol-4-yl]pyridine CAS Name: 4-[3-(4-tert-butylphenyl)-5-(dodecyldisulfanyl)-1,2,4-triazol-4-yl]pyridine IUPAC Name: 4-[3-(4-tert-butylphenyl)-5-(dodecyldisulfanyl)-1,2,4-triazol-4-yl]pyridine Traditional Name: 4-[3-(4-tert-butylphenyl)-5-(lauryldisulfanyl)-1,2,4-triazol-4-yl]pyridine Formula: C29H42N4S2 MolecularWeight: 510.80058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSSC1=NN=C(N1C2=CC=NC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCSSC1=NN=C(N1C2=CC=NC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C29H42N4S2/c1-5-6-7-8-9-10-11-12-13-14-23-34-35-28-32-31-27(33(28)26-19-21-30-22-20-26)24-15-17-25(18-16-24)29(2,3)4/h15-22H,5-14,23H2,1-4H3