3-heptan-3-yl-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-heptan-3-yl-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-ethylpentyl)-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-heptan-3-yl-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-heptan-3-yl-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-ethylpentyl)-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C15H21N3S MolecularWeight: 275.41234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=NNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)C1=NNC(=S)N1C2=CC=CC=C2

InChI

InChI=1S/C15H21N3S/c1-3-5-9-12(4-2)14-16-17-15(19)18(14)13-10-7-6-8-11-13/h6-8,10-12H,3-5,9H2,1-2H3,(H,17,19)