4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(2-benzyloxy-5-bromo-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C22H19BrN4OS MolecularWeight: 467.38146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNN3C(=NNC3=S)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNN3C(=NNC3=S)C4=CC=CC=C4

InChI

InChI=1S/C22H19BrN4OS/c23-19-11-12-20(28-15-16-7-3-1-4-8-16)18(13-19)14-24-27-21(25-26-22(27)29)17-9-5-2-6-10-17/h1-13,24H,14-15H2,(H,26,29)