3-hexylsulfanyl-5-[(2-methylphenyl)methyl]-1H-1,2,4-triazole

Systemtic Name: 3-hexylsulfanyl-5-[(2-methylphenyl)methyl]-1H-1,2,4-triazole Openeye Name: 3-hexylsulfanyl-5-(o-tolylmethyl)-1H-1,2,4-triazole CAS Name: 3-(hexylthio)-5-[(2-methylphenyl)methyl]-1H-1,2,4-triazole IUPAC Name: 3-hexylsulfanyl-5-[(2-methylphenyl)methyl]-1H-1,2,4-triazole Traditional Name: 3-(hexylthio)-5-(2-methylbenzyl)-1H-1,2,4-triazole Formula: C16H23N3S MolecularWeight: 289.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NNC(=N1)CC2=CC=CC=C2C

Isomeric SMILES

CCCCCCSC1=NNC(=N1)CC2=CC=CC=C2C

InChI

InChI=1S/C16H23N3S/c1-3-4-5-8-11-20-16-17-15(18-19-16)12-14-10-7-6-9-13(14)2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,17,18,19)