5-[[4-bromanyl-2-(1-phenylpyrazol-3-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-[[4-bromanyl-2-(1-phenylpyrazol-3-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione Openeye Name: 5-[[4-bromo-2-(1-phenylpyrazol-3-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione CAS Name: 5-[[4-bromo-2-(1-phenyl-3-pyrazolyl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione IUPAC Name: 5-[[4-bromo-2-(1-phenylpyrazol-3-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione Traditional Name: 5-[[4-bromo-2-(1-phenylpyrazol-3-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione Formula: C18H13BrN4O2S MolecularWeight: 429.29042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=CC(=N2)C3=C(C=CC(=C3)Br)OCC4=NNC(=S)O4

Isomeric SMILES

C1=CC=C(C=C1)N2C=CC(=N2)C3=C(C=CC(=C3)Br)OCC4=NNC(=S)O4

InChI

InChI=1S/C18H13BrN4O2S/c19-12-6-7-16(24-11-17-20-21-18(26)25-17)14(10-12)15-8-9-23(22-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,26)