(E)-3-methyl-4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]but-2-enenitrile

Systemtic Name: (E)-3-methyl-4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]but-2-enenitrile Openeye Name: (E)-3-methyl-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-enenitrile CAS Name: (E)-3-methyl-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)-2-butenenitrile IUPAC Name: (E)-3-methyl-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-enenitrile Traditional Name: (E)-3-methyl-4-(1,1,3-triketo-1,2-benzothiazol-2-yl)but-2-enenitrile Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#N)CN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

C/C(=C\C#N)/CN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C12H10N2O3S/c1-9(6-7-13)8-14-12(15)10-4-2-3-5-11(10)18(14,16)17/h2-6H,8H2,1H3/b9-6+