N-(2-iodanylethyl)-4-methyl-3-(trioxidanylsulfanyl)benzenecarbothioamide

Systemtic Name: N-(2-iodanylethyl)-4-methyl-3-(trioxidanylsulfanyl)benzenecarbothioamide Openeye Name: N-(2-iodoethyl)-4-methyl-3-(trioxidanylsulfanyl)benzenecarbothioamide CAS Name: 5-[(2-iodoethylamino)-sulfanylidenemethyl]-2-methylbenzenesulfenic acid hydroperoxy ester IUPAC Name: N-(2-iodoethyl)-4-methyl-3-(trioxidanylsulfanyl)benzenecarbothioamide Traditional Name: N-(2-iodoethyl)-4-methyl-3-(trioxidanylthio)thiobenzamide Formula: C10H12INO3S2 MolecularWeight: 385.24165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=S)NCCI)SOOO

Isomeric SMILES

CC1=C(C=C(C=C1)C(=S)NCCI)SOOO

InChI

InChI=1S/C10H12INO3S2/c1-7-2-3-8(10(16)12-5-4-11)6-9(7)17-15-14-13/h2-3,6,13H,4-5H2,1H3,(H,12,16)