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

Systemtic Name: 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(2-benzyloxy-5-bromo-phenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)amino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C18H19BrN4OS MolecularWeight: 419.33866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=NNC(=S)N1NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C18H19BrN4OS/c1-2-17-21-22-18(25)23(17)20-11-14-10-15(19)8-9-16(14)24-12-13-6-4-3-5-7-13/h3-10,20H,2,11-12H2,1H3,(H,22,25)