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

Systemtic Name: 3-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C17H17N3OS MolecularWeight: 311.40138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NNC(=S)N2C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NNC(=S)N2C3=CC=CC=C3)C

InChI

InChI=1S/C17H17N3OS/c1-12-8-9-15(10-13(12)2)21-11-16-18-19-17(22)20(16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,22)