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

Systemtic Name: 2-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 2-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 2-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 2-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 2-(3-chlorobenzyl)-3-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C21H16ClN3OS MolecularWeight: 393.88924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC(=S)NN3CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC(=S)NN3CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H16ClN3OS/c22-17-6-4-5-15(13-17)14-25-20(23-21(27)24-25)16-9-11-19(12-10-16)26-18-7-2-1-3-8-18/h1-13H,14H2,(H,24,27)