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

Systemtic Name: 3-[(4-hydroxyphenyl)methyl]-4-(4-iodophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-hydroxyphenyl)methyl]-4-(4-iodophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-hydroxyphenyl)methyl]-4-(4-iodophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-hydroxyphenyl)methyl]-4-(4-iodophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-hydroxybenzyl)-4-(4-iodophenyl)-1H-1,2,4-triazole-5-thione Formula: C15H12IN3OS MolecularWeight: 409.24475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NNC(=S)N2C3=CC=C(C=C3)I)O

Isomeric SMILES

C1=CC(=CC=C1CC2=NNC(=S)N2C3=CC=C(C=C3)I)O

InChI

InChI=1S/C15H12IN3OS/c16-11-3-5-12(6-4-11)19-14(17-18-15(19)21)9-10-1-7-13(20)8-2-10/h1-8,20H,9H2,(H,18,21)