2-chloranyl-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-5-iodanyl-benzamide

Systemtic Name: 2-chloranyl-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-5-iodo-benzamide Formula: C13H13ClIN5OS2 MolecularWeight: 481.76269

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)C

InChI

InChI=1S/C13H13ClIN5OS2/c1-3-23-13-18-17-7(2)20(13)19-12(22)16-11(21)9-6-8(15)4-5-10(9)14/h4-6H,3H2,1-2H3,(H2,16,19,21,22)