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

Systemtic Name: 4-[[5-bromanyl-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[5-bromo-2-(2-chlorobenzyl)oxy-benzyl]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C21H17BrClN5OS MolecularWeight: 502.81458

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrClN5OS/c22-17-5-6-19(29-13-15-3-1-2-4-18(15)23)16(11-17)12-25-28-20(26-27-21(28)30)14-7-9-24-10-8-14/h1-11,25H,12-13H2,(H,27,30)