N-[[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[[5-(ethylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[[5-(ethylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholinosulfonyl-benzamide Formula: C22H24FN5O4S2 MolecularWeight: 505.585463

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H24FN5O4S2/c1-2-33-22-26-25-20(28(22)18-7-5-17(23)6-8-18)15-24-21(29)16-3-9-19(10-4-16)34(30,31)27-11-13-32-14-12-27/h3-10H,2,11-15H2,1H3,(H,24,29)