5-[(3-bromanylphenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(3-bromanylphenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-[(3-bromophenoxy)methyl]-2-(morpholinomethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(3-bromophenoxy)methyl]-2-(4-morpholinylmethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(3-bromophenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-[(3-bromophenoxy)methyl]-2-(morpholinomethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CN2C(=S)N(C(=N2)COC3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1CN2C(=S)N(C(=N2)COC3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H21BrN4O2S/c21-16-5-4-8-18(13-16)27-14-19-22-24(15-23-9-11-26-12-10-23)20(28)25(19)17-6-2-1-3-7-17/h1-8,13H,9-12,14-15H2