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

Systemtic Name: 5-phenyl-3-undecylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-phenyl-3-undecylsulfanyl-1H-1,2,4-triazole CAS Name: 5-phenyl-3-(undecylthio)-1H-1,2,4-triazole IUPAC Name: 5-phenyl-3-undecylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-phenyl-3-(undecylthio)-1H-1,2,4-triazole Formula: C19H29N3S MolecularWeight: 331.51866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C19H29N3S/c1-2-3-4-5-6-7-8-9-13-16-23-19-20-18(21-22-19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3,(H,20,21,22)