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

Systemtic Name: 5-butyl-2-(4-methylphenyl)-5-phenyl-1,2,4-triazolidine-3-thione Openeye Name: 5-butyl-5-phenyl-2-(p-tolyl)-1,2,4-triazolidine-3-thione CAS Name: 5-butyl-2-(4-methylphenyl)-5-phenyl-1,2,4-triazolidine-3-thione IUPAC Name: 5-butyl-2-(4-methylphenyl)-5-phenyl-1,2,4-triazolidine-3-thione Traditional Name: 5-butyl-5-phenyl-2-(p-tolyl)-1,2,4-triazolidine-3-thione Formula: C19H23N3S MolecularWeight: 325.47102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(NC(=S)N(N1)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCC1(NC(=S)N(N1)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3S/c1-3-4-14-19(16-8-6-5-7-9-16)20-18(23)22(21-19)17-12-10-15(2)11-13-17/h5-13,21H,3-4,14H2,1-2H3,(H,20,23)