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

Systemtic Name: (E)-3-methyl-4-[4-methyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]but-2-enenitrile Openeye Name: (E)-3-methyl-4-(4-methyl-1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-enenitrile CAS Name: (E)-3-methyl-4-(4-methyl-1,1,3-trioxo-1,2-benzothiazol-2-yl)-2-butenenitrile IUPAC Name: (E)-3-methyl-4-(4-methyl-1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-enenitrile Traditional Name: (E)-3-methyl-4-(1,1,3-triketo-4-methyl-1,2-benzothiazol-2-yl)but-2-enenitrile Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)S(=O)(=O)N(C2=O)CC(=CC#N)C

Isomeric SMILES

CC1=C2C(=CC=C1)S(=O)(=O)N(C2=O)C/C(=C/C#N)/C

InChI

InChI=1S/C13H12N2O3S/c1-9(6-7-14)8-15-13(16)12-10(2)4-3-5-11(12)19(15,17)18/h3-6H,8H2,1-2H3/b9-6+