2-[[4-azanyl-5-(3-chloranyl-1-benzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-chloranyl-1-benzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[4-amino-5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[4-amino-5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[4-amino-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C13H12ClN5OS2 MolecularWeight: 353.85028

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NN=C(N1N)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CNC(=O)CSC1=NN=C(N1N)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C13H12ClN5OS2/c1-16-9(20)6-21-13-18-17-12(19(13)15)11-10(14)7-4-2-3-5-8(7)22-11/h2-5H,6,15H2,1H3,(H,16,20)