5-octyl-2-phenyl-5-propyl-1,2,4-triazolidine-3-thione

Systemtic Name: 5-octyl-2-phenyl-5-propyl-1,2,4-triazolidine-3-thione Openeye Name: 5-octyl-2-phenyl-5-propyl-1,2,4-triazolidine-3-thione CAS Name: 5-octyl-2-phenyl-5-propyl-1,2,4-triazolidine-3-thione IUPAC Name: 5-octyl-2-phenyl-5-propyl-1,2,4-triazolidine-3-thione Traditional Name: 5-octyl-2-phenyl-5-propyl-1,2,4-triazolidine-3-thione Formula: C19H31N3S MolecularWeight: 333.53454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(NC(=S)N(N1)C2=CC=CC=C2)CCC

Isomeric SMILES

CCCCCCCCC1(NC(=S)N(N1)C2=CC=CC=C2)CCC

InChI

InChI=1S/C19H31N3S/c1-3-5-6-7-8-12-16-19(15-4-2)20-18(23)22(21-19)17-13-10-9-11-14-17/h9-11,13-14,21H,3-8,12,15-16H2,1-2H3,(H,20,23)