3-methyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-methyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-benzyloxyphenyl)-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 3-methyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-methyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-benzoxyphenyl)-3-methyl-1H-1,2,4-triazole-5-thione Formula: C16H15N3OS MolecularWeight: 297.3748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=NNC(=S)N1C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C16H15N3OS/c1-12-17-18-16(21)19(12)14-7-9-15(10-8-14)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21)