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

Systemtic Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C13H15ClN4OS MolecularWeight: 310.8024

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=CN1C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCNC(=O)CSC1=NN=CN1C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H15ClN4OS/c1-2-6-15-12(19)8-20-13-17-16-9-18(13)11-5-3-4-10(14)7-11/h3-5,7,9H,2,6,8H2,1H3,(H,15,19)