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

Systemtic Name: 2-(3,4-dimethylphenyl)-5,5-dipentyl-1,2,4-triazolidine-3-thione Openeye Name: 2-(3,4-dimethylphenyl)-5,5-dipentyl-1,2,4-triazolidine-3-thione CAS Name: 2-(3,4-dimethylphenyl)-5,5-dipentyl-1,2,4-triazolidine-3-thione IUPAC Name: 2-(3,4-dimethylphenyl)-5,5-dipentyl-1,2,4-triazolidine-3-thione Traditional Name: 5,5-diamyl-2-(3,4-dimethylphenyl)-1,2,4-triazolidine-3-thione Formula: C20H33N3S MolecularWeight: 347.56112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(NC(=S)N(N1)C2=CC(=C(C=C2)C)C)CCCCC

Isomeric SMILES

CCCCCC1(NC(=S)N(N1)C2=CC(=C(C=C2)C)C)CCCCC

InChI

InChI=1S/C20H33N3S/c1-5-7-9-13-20(14-10-8-6-2)21-19(24)23(22-20)18-12-11-16(3)17(4)15-18/h11-12,15,22H,5-10,13-14H2,1-4H3,(H,21,24)