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

Systemtic Name: 4-[[5-bromanyl-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[5-bromo-2-(2-chlorobenzyl)oxy-benzyl]amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C22H18BrClN4OS MolecularWeight: 501.82652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=S)N2NCC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=S)N2NCC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C22H18BrClN4OS/c23-18-10-11-20(29-14-16-8-4-5-9-19(16)24)17(12-18)13-25-28-21(26-27-22(28)30)15-6-2-1-3-7-15/h1-12,25H,13-14H2,(H,27,30)