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

Systemtic Name: 3-iodanyl-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-iodo-benzamide CAS Name: 3-iodo-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-iodobenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3-iodo-benzamide Formula: C17H15IN4OS MolecularWeight: 450.29667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15IN4OS/c1-12-19-20-17(24-11-13-6-3-2-4-7-13)22(12)21-16(23)14-8-5-9-15(18)10-14/h2-10H,11H2,1H3,(H,21,23)