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

Systemtic Name: 3-iodanyl-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-iodo-benzamide CAS Name: 3-iodo-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-iodobenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-iodo-benzamide Formula: C18H16IN5OS2 MolecularWeight: 509.38701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC(=CC=C2)I)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC(=CC=C2)I)SCC3=CC=CC=C3

InChI

InChI=1S/C18H16IN5OS2/c1-12-21-22-18(27-11-13-6-3-2-4-7-13)24(12)23-17(26)20-16(25)14-8-5-9-15(19)10-14/h2-10H,11H2,1H3,(H2,20,23,25,26)