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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC2=NNC(=S)N2C

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC2=NNC(=S)N2C

InChI

InChI=1S/C13H17N3OS/c1-3-8-17-11-6-4-10(5-7-11)9-12-14-15-13(18)16(12)2/h4-7H,3,8-9H2,1-2H3,(H,15,18)