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

Systemtic Name: 3-dodecylsulfanyl-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-dodecylsulfanyl-5-phenyl-1H-1,2,4-triazole CAS Name: 3-(dodecylthio)-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-dodecylsulfanyl-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-(laurylthio)-5-phenyl-1H-1,2,4-triazole Formula: C20H31N3S MolecularWeight: 345.54524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C20H31N3S/c1-2-3-4-5-6-7-8-9-10-14-17-24-20-21-19(22-23-20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H,21,22,23)