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

Systemtic Name: 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(2-benzyloxy-5-bromo-phenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)amino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C23H21BrN4O2S MolecularWeight: 497.40744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN4O2S/c1-29-21-10-6-5-9-19(21)22-26-27-23(31)28(22)25-14-17-13-18(24)11-12-20(17)30-15-16-7-3-2-4-8-16/h2-13,25H,14-15H2,1H3,(H,27,31)