N-butyl-2-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-butyl-2-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[4-(2-fluorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[[4-(2-fluorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[[4-(2-fluorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxamide Formula: C22H21FN6OS2 MolecularWeight: 468.570143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC=C3F)C4=CN=CC=C4

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC=C3F)C4=CN=CC=C4

InChI

InChI=1S/C22H21FN6OS2/c1-2-3-11-25-21(30)17-13-31-19(26-17)14-32-22-28-27-20(15-7-6-10-24-12-15)29(22)18-9-5-4-8-16(18)23/h4-10,12-13H,2-3,11,14H2,1H3,(H,25,30)