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

Systemtic Name: 3-decylsulfanyl-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-decylsulfanyl-5-phenyl-1H-1,2,4-triazole CAS Name: 3-(decylthio)-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-decylsulfanyl-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-(decylthio)-5-phenyl-1H-1,2,4-triazole Formula: C18H27N3S MolecularWeight: 317.49208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C18H27N3S/c1-2-3-4-5-6-7-8-12-15-22-18-19-17(20-21-18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3,(H,19,20,21)