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

Systemtic Name: 3-butyl-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-butyl-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-butyl-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-butyl-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-butyl-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

CCCCC1=NNC(=S)N1C2=CC=CC=C2

InChI

InChI=1S/C12H15N3S/c1-2-3-9-11-13-14-12(16)15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,14,16)