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

Systemtic Name: 5-(2,4-dichlorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(2,4-dichlorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(2,4-dichlorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(2,4-dichlorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(2,4-dichlorophenyl)-2-(3-phenoxybenzyl)-1H-1,2,4-triazole-3-thione Formula: C21H15Cl2N3OS MolecularWeight: 428.3343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3C(=S)N=C(N3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3C(=S)N=C(N3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H15Cl2N3OS/c22-15-9-10-18(19(23)12-15)20-24-21(28)26(25-20)13-14-5-4-8-17(11-14)27-16-6-2-1-3-7-16/h1-12H,13H2,(H,24,25,28)