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

Systemtic Name: 3-hexylsulfanyl-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-hexylsulfanyl-5-phenyl-1H-1,2,4-triazole CAS Name: 3-(hexylthio)-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-hexylsulfanyl-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-(hexylthio)-5-phenyl-1H-1,2,4-triazole Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C14H19N3S/c1-2-3-4-8-11-18-14-15-13(16-17-14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,15,16,17)