4-[[5-(1-benzofuran-2-yl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[5-(1-benzofuran-2-yl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[5-(benzofuran-2-yl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[5-(2-benzofuranyl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[5-(1-benzofuran-2-yl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[5-(benzofuran-2-yl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NN=C(CS3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NN=C(CS3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H19N5O2S/c1-14-20(21(28)27(26(14)2)16-9-4-3-5-10-16)23-22-25-24-17(13-30-22)19-12-15-8-6-7-11-18(15)29-19/h3-12H,13H2,1-2H3,(H,23,25)