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

Systemtic Name: 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C11H9N5OS3 MolecularWeight: 323.41706

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CSC1=NN=C(S1)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C11H9N5OS3/c1-18-10-13-14-11(20-10)19-6-16-9(17)7-4-2-3-5-8(7)12-15-16/h2-5H,6H2,1H3