4-(4-methylphenyl)-3-octylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(4-methylphenyl)-3-octylsulfanyl-1,2,4-triazole Openeye Name: 3-octylsulfanyl-4-(p-tolyl)-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3-(octylthio)-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3-octylsulfanyl-1,2,4-triazole Traditional Name: 3-(octylthio)-4-(p-tolyl)-1,2,4-triazole Formula: C17H25N3S MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NN=CN1C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCSC1=NN=CN1C2=CC=C(C=C2)C

InChI

InChI=1S/C17H25N3S/c1-3-4-5-6-7-8-13-21-17-19-18-14-20(17)16-11-9-15(2)10-12-16/h9-12,14H,3-8,13H2,1-2H3