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

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[4-(3-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[4-(3-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-propyl-thiazole-4-carboxamide Formula: C21H19ClN6OS2 MolecularWeight: 470.99816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C21H19ClN6OS2/c1-2-8-24-20(29)17-12-30-18(25-17)13-31-21-27-26-19(14-6-9-23-10-7-14)28(21)16-5-3-4-15(22)11-16/h3-7,9-12H,2,8,13H2,1H3,(H,24,29)