3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,5-dimethylhexyl)-3-[(4-ethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,5-dimethylhexyl)-3-[(4-ethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C19H29N3OS MolecularWeight: 347.51806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NNC(=S)N2C(C)CCCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NNC(=S)N2C(C)CCCC(C)C

InChI

InChI=1S/C19H29N3OS/c1-5-16-9-11-17(12-10-16)23-13-18-20-21-19(24)22(18)15(4)8-6-7-14(2)3/h9-12,14-15H,5-8,13H2,1-4H3,(H,21,24)