1-[2-[(3-bromanyl-1,2-oxazol-5-yl)methylsulfanyl]ethyl]-3-methyl-thiourea

Systemtic Name: 1-[2-[(3-bromanyl-1,2-oxazol-5-yl)methylsulfanyl]ethyl]-3-methyl-thiourea Openeye Name: 1-[2-[(3-bromoisoxazol-5-yl)methylsulfanyl]ethyl]-3-methyl-thiourea CAS Name: 1-[2-[(3-bromo-5-isoxazolyl)methylthio]ethyl]-3-methylthiourea IUPAC Name: 1-[2-[(3-bromo-1,2-oxazol-5-yl)methylsulfanyl]ethyl]-3-methylthiourea Traditional Name: 1-[2-[(3-bromoisoxazol-5-yl)methylthio]ethyl]-3-methyl-thiourea Formula: C8H12BrN3OS2 MolecularWeight: 310.23438

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCCSCC1=CC(=NO1)Br

Isomeric SMILES

CNC(=S)NCCSCC1=CC(=NO1)Br

InChI

InChI=1S/C8H12BrN3OS2/c1-10-8(14)11-2-3-15-5-6-4-7(9)12-13-6/h4H,2-3,5H2,1H3,(H2,10,11,14)