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

Systemtic Name: 5,5-dibutyl-2-(3,4-dimethylphenyl)-1,2,4-triazolidine-3-thione Openeye Name: 5,5-dibutyl-2-(3,4-dimethylphenyl)-1,2,4-triazolidine-3-thione CAS Name: 5,5-dibutyl-2-(3,4-dimethylphenyl)-1,2,4-triazolidine-3-thione IUPAC Name: 5,5-dibutyl-2-(3,4-dimethylphenyl)-1,2,4-triazolidine-3-thione Traditional Name: 5,5-dibutyl-2-(3,4-dimethylphenyl)-1,2,4-triazolidine-3-thione Formula: C18H29N3S MolecularWeight: 319.50796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3S/c1-5-7-11-18(12-8-6-2)19-17(22)21(20-18)16-10-9-14(3)15(4)13-16/h9-10,13,20H,5-8,11-12H2,1-4H3,(H,19,22)