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

Systemtic Name: 2,5-bis(chloranyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Openeye Name: 2,5-dichloro-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: 2,5-dichloro-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,5-dichloro-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Traditional Name: 2,5-dichloro-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C12H11Cl2N5OS2 MolecularWeight: 376.28464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=C(C=CC(=C2)Cl)Cl)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=C(C=CC(=C2)Cl)Cl)SC

InChI

InChI=1S/C12H11Cl2N5OS2/c1-6-16-17-12(22-2)19(6)18-11(21)15-10(20)8-5-7(13)3-4-9(8)14/h3-5H,1-2H3,(H2,15,18,20,21)