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

Systemtic Name: 4-phenyl-3-[(4-propoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-phenyl-3-[(4-propoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-phenyl-3-[(4-propoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-phenyl-3-[(4-propoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-phenyl-3-(4-propoxybenzyl)-1H-1,2,4-triazole-5-thione Formula: C18H19N3OS MolecularWeight: 325.42796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS/c1-2-12-22-16-10-8-14(9-11-16)13-17-19-20-18(23)21(17)15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,20,23)