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

Systemtic Name: 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(2-benzyloxy-5-bromo-phenyl)methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C21H18BrN5OS MolecularWeight: 468.36952

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN5OS/c22-18-6-7-19(28-14-15-4-2-1-3-5-15)17(12-18)13-24-27-20(25-26-21(27)29)16-8-10-23-11-9-16/h1-12,24H,13-14H2,(H,26,29)