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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-benzoxy-3-bromo-5-methoxy-benzyl)amino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C24H23BrN4O3S MolecularWeight: 527.43342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NNC(=S)N2NCC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC=CC=C1C2=NNC(=S)N2NCC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C24H23BrN4O3S/c1-30-20-11-7-6-10-18(20)23-27-28-24(33)29(23)26-14-17-12-19(25)22(21(13-17)31-2)32-15-16-8-4-3-5-9-16/h3-13,26H,14-15H2,1-2H3,(H,28,33)