1-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-4-phenyltetrazol-5-one Traditional Name: 1-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]-4-phenyl-tetrazol-5-one Formula: C18H14BrN5O2S MolecularWeight: 444.30506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CN3C(=O)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)CN3C(=O)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H14BrN5O2S/c1-26-16-8-7-12(19)9-15(16)17-20-13(11-27-17)10-23-18(25)24(22-21-23)14-5-3-2-4-6-14/h2-9,11H,10H2,1H3