4-butyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-butyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)COC2=CC=C(C=C2)C

Isomeric SMILES

CCCCN1C(=NNC1=S)COC2=CC=C(C=C2)C

InChI

InChI=1S/C14H19N3OS/c1-3-4-9-17-13(15-16-14(17)19)10-18-12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)