5-octadecylsulfanyl-1,3-diphenyl-1,2,4-triazole

Systemtic Name: 5-octadecylsulfanyl-1,3-diphenyl-1,2,4-triazole Openeye Name: 5-octadecylsulfanyl-1,3-diphenyl-1,2,4-triazole CAS Name: 5-(octadecylthio)-1,3-diphenyl-1,2,4-triazole IUPAC Name: 5-octadecylsulfanyl-1,3-diphenyl-1,2,4-triazole Traditional Name: 1,3-diphenyl-5-(stearylthio)-1,2,4-triazole Formula: C32H47N3S MolecularWeight: 505.80068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C32H47N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-36-32-33-31(29-24-19-17-20-25-29)34-35(32)30-26-21-18-22-27-30/h17-22,24-27H,2-16,23,28H2,1H3