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

Systemtic Name: 3-[(4-butoxyphenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[(4-butoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-butoxyphenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-butoxyphenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-(4-butoxybenzyl)-1H-1,2,4-triazole-5-thione Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=NNC(=S)N2CC=C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=NNC(=S)N2CC=C

InChI

InChI=1S/C16H21N3OS/c1-3-5-11-20-14-8-6-13(7-9-14)12-15-17-18-16(21)19(15)10-4-2/h4,6-9H,2-3,5,10-12H2,1H3,(H,18,21)