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

Systemtic Name: 3-iodanyl-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Openeye Name: 3-iodo-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: 3-iodo-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Traditional Name: 3-iodo-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C12H12IN5OS2 MolecularWeight: 433.29105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12IN5OS2/c1-7-15-16-12(21-2)18(7)17-11(20)14-10(19)8-4-3-5-9(13)6-8/h3-6H,1-2H3,(H2,14,17,19,20)