2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=NC=C3

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=NC=C3

InChI

InChI=1S/C18H18ClN5OS/c1-2-9-21-16(25)12-26-18-23-22-17(13-7-10-20-11-8-13)24(18)15-5-3-14(19)4-6-15/h3-8,10-11H,2,9,12H2,1H3,(H,21,25)