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

Systemtic Name: 3-butyl-4-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-butyl-4-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-butyl-4-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-butyl-4-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-butyl-4-(4-hydroxybenzyl)-1H-1,2,4-triazole-5-thione Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1CC2=CC=C(C=C2)O

Isomeric SMILES

CCCCC1=NNC(=S)N1CC2=CC=C(C=C2)O

InChI

InChI=1S/C13H17N3OS/c1-2-3-4-12-14-15-13(18)16(12)9-10-5-7-11(17)8-6-10/h5-8,17H,2-4,9H2,1H3,(H,15,18)