3-[(2-chloranylphenoxy)methyl]-4-pentyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2-chloranylphenoxy)methyl]-4-pentyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chlorophenoxy)methyl]-4-pentyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chlorophenoxy)methyl]-4-pentyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chlorophenoxy)methyl]-4-pentyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-amyl-3-[(2-chlorophenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C14H18ClN3OS MolecularWeight: 311.83022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NNC1=S)COC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCN1C(=NNC1=S)COC2=CC=CC=C2Cl

InChI

InChI=1S/C14H18ClN3OS/c1-2-3-6-9-18-13(16-17-14(18)20)10-19-12-8-5-4-7-11(12)15/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,17,20)