1-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2,4-triazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-5-methyl-N-(2-morpholino-1,3-benzothiazol-6-yl)-1,2,4-triazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-5-methyl-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(4-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2,4-triazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-5-methyl-N-(2-morpholino-1,3-benzothiazol-6-yl)-1,2,4-triazole-3-carboxamide Formula: C21H19FN6O2S MolecularWeight: 438.477963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

InChI

InChI=1S/C21H19FN6O2S/c1-13-23-19(26-28(13)16-5-2-14(22)3-6-16)20(29)24-15-4-7-17-18(12-15)31-21(25-17)27-8-10-30-11-9-27/h2-7,12H,8-11H2,1H3,(H,24,29)