3-bromanyl-N-[2-methyl-4-(trioxidanylsulfanyl)phenyl]propanethioamide

Systemtic Name: 3-bromanyl-N-[2-methyl-4-(trioxidanylsulfanyl)phenyl]propanethioamide Openeye Name: 3-bromo-N-[2-methyl-4-(trioxidanylsulfanyl)phenyl]propanethioamide CAS Name: 4-[(3-bromo-1-sulfanylidenepropyl)amino]-3-methylbenzenesulfenic acid hydroperoxy ester IUPAC Name: 3-bromo-N-[2-methyl-4-(trioxidanylsulfanyl)phenyl]propanethioamide Traditional Name: 3-bromo-N-[2-methyl-4-(trioxidanylthio)phenyl]thiopropionamide Formula: C10H12BrNO3S2 MolecularWeight: 338.24118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SOOO)NC(=S)CCBr

Isomeric SMILES

CC1=C(C=CC(=C1)SOOO)NC(=S)CCBr

InChI

InChI=1S/C10H12BrNO3S2/c1-7-6-8(17-15-14-13)2-3-9(7)12-10(16)4-5-11/h2-3,6,13H,4-5H2,1H3,(H,12,16)