N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-iodanyl-benzamide

Systemtic Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-iodanyl-benzamide Openeye Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-iodo-benzamide CAS Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-3-iodobenzamide IUPAC Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-iodobenzamide Traditional Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-3-iodo-benzamide Formula: C12H13IN4OS MolecularWeight: 388.22729

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=O)C2=CC(=CC=C2)I)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=O)C2=CC(=CC=C2)I)C

InChI

InChI=1S/C12H13IN4OS/c1-3-19-12-15-14-8(2)17(12)16-11(18)9-5-4-6-10(13)7-9/h4-7H,3H2,1-2H3,(H,16,18)