3-heptyl-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-heptyl-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-heptyl-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-heptyl-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-heptyl-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-heptyl-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C15H21N3S MolecularWeight: 275.41234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1=NNC(=S)N1C2=CC=CC=C2

InChI

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