3-[(2,4-dimethylphenyl)methylsulfanyl]-5-octyl-1H-1,2,4-triazole

Systemtic Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-5-octyl-1H-1,2,4-triazole Openeye Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-5-octyl-1H-1,2,4-triazole CAS Name: 3-[(2,4-dimethylphenyl)methylthio]-5-octyl-1H-1,2,4-triazole IUPAC Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-5-octyl-1H-1,2,4-triazole Traditional Name: 3-[(2,4-dimethylbenzyl)thio]-5-octyl-1H-1,2,4-triazole Formula: C19H29N3S MolecularWeight: 331.51866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=NN1)SCC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCCCCCCC1=NC(=NN1)SCC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C19H29N3S/c1-4-5-6-7-8-9-10-18-20-19(22-21-18)23-14-17-12-11-15(2)13-16(17)3/h11-13H,4-10,14H2,1-3H3,(H,20,21,22)