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

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-benzoxy-3-bromo-5-ethoxy-benzyl)amino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C25H25BrN4O3S MolecularWeight: 541.46

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3OC)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3OC)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25BrN4O3S/c1-3-32-22-14-18(13-20(26)23(22)33-16-17-9-5-4-6-10-17)15-27-30-24(28-29-25(30)34)19-11-7-8-12-21(19)31-2/h4-14,27H,3,15-16H2,1-2H3,(H,29,34)