5,5-dibutyl-2-(4-methylphenyl)-1,2,4-triazolidine-3-thione

Systemtic Name: 5,5-dibutyl-2-(4-methylphenyl)-1,2,4-triazolidine-3-thione Openeye Name: 5,5-dibutyl-2-(p-tolyl)-1,2,4-triazolidine-3-thione CAS Name: 5,5-dibutyl-2-(4-methylphenyl)-1,2,4-triazolidine-3-thione IUPAC Name: 5,5-dibutyl-2-(4-methylphenyl)-1,2,4-triazolidine-3-thione Traditional Name: 5,5-dibutyl-2-(p-tolyl)-1,2,4-triazolidine-3-thione Formula: C17H27N3S MolecularWeight: 305.48138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(NC(=S)N(N1)C2=CC=C(C=C2)C)CCCC

Isomeric SMILES

CCCCC1(NC(=S)N(N1)C2=CC=C(C=C2)C)CCCC

InChI

InChI=1S/C17H27N3S/c1-4-6-12-17(13-7-5-2)18-16(21)20(19-17)15-10-8-14(3)9-11-15/h8-11,19H,4-7,12-13H2,1-3H3,(H,18,21)