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

Systemtic Name: 2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(3-chlorobenzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(3-chlorobenzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H11ClN4OS2 MolecularWeight: 338.83564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C13H11ClN4OS2/c1-18-12(16-17-13(18)20-6-9(15)19)11-10(14)7-4-2-3-5-8(7)21-11/h2-5H,6H2,1H3,(H2,15,19)