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

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-benzoxy-3-bromo-5-ethoxy-benzyl)amino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C20H23BrN4O2S MolecularWeight: 463.39122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN4O2S/c1-3-18-23-24-20(28)25(18)22-12-15-10-16(21)19(17(11-15)26-4-2)27-13-14-8-6-5-7-9-14/h5-11,22H,3-4,12-13H2,1-2H3,(H,24,28)