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

Systemtic Name: 2-chloranyl-5-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]-2-chloro-5-iodo-benzamide CAS Name: 2-chloro-5-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]-2-chloro-5-iodobenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C18H15ClIN5OS2 MolecularWeight: 543.83207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClIN5OS2/c1-11-22-23-18(28-10-12-5-3-2-4-6-12)25(11)24-17(27)21-16(26)14-9-13(20)7-8-15(14)19/h2-9H,10H2,1H3,(H2,21,24,26,27)