4-(3-tert-butyl-5-octadecylsulfanyl-1,2,4-triazol-4-yl)pyridine

Systemtic Name: 4-(3-tert-butyl-5-octadecylsulfanyl-1,2,4-triazol-4-yl)pyridine Openeye Name: 4-(3-tert-butyl-5-octadecylsulfanyl-1,2,4-triazol-4-yl)pyridine CAS Name: 4-[3-tert-butyl-5-(octadecylthio)-1,2,4-triazol-4-yl]pyridine IUPAC Name: 4-(3-tert-butyl-5-octadecylsulfanyl-1,2,4-triazol-4-yl)pyridine Traditional Name: 4-[3-tert-butyl-5-(stearylthio)-1,2,4-triazol-4-yl]pyridine Formula: C29H50N4S MolecularWeight: 486.7991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC=NC=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC=NC=C2)C(C)(C)C

InChI

InChI=1S/C29H50N4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-28-32-31-27(29(2,3)4)33(28)26-21-23-30-24-22-26/h21-24H,5-20,25H2,1-4H3