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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=NNC(=S)N2C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=NNC(=S)N2C

InChI

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