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

Systemtic Name: N-tert-butyl-2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-tert-butyl-2-[[4-(2-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: N-tert-butyl-2-[[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-tert-butyl-2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-tert-butyl-2-[[[4-(2-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxamide Formula: C22H21ClN6OS2 MolecularWeight: 485.02474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC=C3Cl)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC=C3Cl)C4=CC=NC=C4

InChI

InChI=1S/C22H21ClN6OS2/c1-22(2,3)26-20(30)16-12-31-18(25-16)13-32-21-28-27-19(14-8-10-24-11-9-14)29(21)17-7-5-4-6-15(17)23/h4-12H,13H2,1-3H3,(H,26,30)