7-bromanyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C13H9BrN2O2S3 MolecularWeight: 401.32176

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CSC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C13H9BrN2O2S3/c1-19-12-15-16-13(21-12)20-6-7-4-11(17)18-10-5-8(14)2-3-9(7)10/h2-5H,6H2,1H3