3-(4-chlorophenyl)-4-hexyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-chlorophenyl)-4-hexyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-chlorophenyl)-4-hexyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-chlorophenyl)-4-hexyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-chlorophenyl)-4-hexyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chlorophenyl)-4-hexyl-1H-1,2,4-triazole-5-thione Formula: C14H18ClN3S MolecularWeight: 295.83082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NNC1=S)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCN1C(=NNC1=S)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClN3S/c1-2-3-4-5-10-18-13(16-17-14(18)19)11-6-8-12(15)9-7-11/h6-9H,2-5,10H2,1H3,(H,17,19)