3-methyl-5-(octadecyldisulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-methyl-5-(octadecyldisulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-methyl-5-(octadecyldisulfanyl)-4-phenyl-1,2,4-triazole CAS Name: 3-methyl-5-(octadecyldisulfanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-methyl-5-(octadecyldisulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-methyl-4-phenyl-5-(stearyldisulfanyl)-1,2,4-triazole Formula: C27H45N3S2 MolecularWeight: 475.7963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSSC1=NN=C(N1C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSSC1=NN=C(N1C2=CC=CC=C2)C

InChI

InChI=1S/C27H45N3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-32-27-29-28-25(2)30(27)26-22-19-18-20-23-26/h18-20,22-23H,3-17,21,24H2,1-2H3