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

Systemtic Name: 2,5-bis(chloranyl)-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Openeye Name: 2,5-dichloro-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: 2,5-dichloro-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,5-dichloro-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Traditional Name: 2,5-dichloro-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C13H13Cl2N5OS2 MolecularWeight: 390.31122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13Cl2N5OS2/c1-3-23-13-18-17-7(2)20(13)19-12(22)16-11(21)9-6-8(14)4-5-10(9)15/h4-6H,3H2,1-2H3,(H2,16,19,21,22)