5-dodecylsulfanyl-1-methyl-3-phenyl-1,2,4-triazole

Systemtic Name: 5-dodecylsulfanyl-1-methyl-3-phenyl-1,2,4-triazole Openeye Name: 5-dodecylsulfanyl-1-methyl-3-phenyl-1,2,4-triazole CAS Name: 5-(dodecylthio)-1-methyl-3-phenyl-1,2,4-triazole IUPAC Name: 5-dodecylsulfanyl-1-methyl-3-phenyl-1,2,4-triazole Traditional Name: 5-(laurylthio)-1-methyl-3-phenyl-1,2,4-triazole Formula: C21H33N3S MolecularWeight: 359.57182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC(=NN1C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCSC1=NC(=NN1C)C2=CC=CC=C2

InChI

InChI=1S/C21H33N3S/c1-3-4-5-6-7-8-9-10-11-15-18-25-21-22-20(23-24(21)2)19-16-13-12-14-17-19/h12-14,16-17H,3-11,15,18H2,1-2H3