5-(4-methylphenyl)-3-pentylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(4-methylphenyl)-3-pentylsulfanyl-1H-1,2,4-triazole Openeye Name: 3-pentylsulfanyl-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-(4-methylphenyl)-3-(pentylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-methylphenyl)-3-pentylsulfanyl-1H-1,2,4-triazole Traditional Name: 3-(amylthio)-5-(p-tolyl)-1H-1,2,4-triazole Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NNC(=N1)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCSC1=NNC(=N1)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H19N3S/c1-3-4-5-10-18-14-15-13(16-17-14)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,15,16,17)