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

Systemtic Name: 2-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C13H16ClN5OS MolecularWeight: 325.81704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)NC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClN5OS/c1-8(2)16-11(20)7-21-13-18-17-12(19(13)15)9-3-5-10(14)6-4-9/h3-6,8H,7,15H2,1-2H3,(H,16,20)