3-[5-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(5-chloro-2-thienyl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(5-chloro-2-thiophenyl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(5-chloro-2-thienyl)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C12H13ClN4O2S2 MolecularWeight: 344.84022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(S2)Cl)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(S2)Cl)CCC(=O)N

InChI

InChI=1S/C12H13ClN4O2S2/c1-17-11(5-4-10(14)19)15-16-12(17)20-6-7(18)8-2-3-9(13)21-8/h2-3H,4-6H2,1H3,(H2,14,19)