3-[3-(2-cyanoethyl)-1-methyl-2,2-bis(oxidanylidene)-2,1-benzothiazol-3-yl]propanenitrile

Systemtic Name: 3-[3-(2-cyanoethyl)-1-methyl-2,2-bis(oxidanylidene)-2,1-benzothiazol-3-yl]propanenitrile Openeye Name: 3-[3-(2-cyanoethyl)-1-methyl-2,2-dioxo-2,1-benzothiazol-3-yl]propanenitrile CAS Name: 3-[3-(2-cyanoethyl)-1-methyl-2,2-dioxo-2,1-benzothiazol-3-yl]propanenitrile IUPAC Name: 3-[3-(2-cyanoethyl)-1-methyl-2,2-dioxo-2,1-benzothiazol-3-yl]propanenitrile Traditional Name: 3-[3-(2-cyanoethyl)-2,2-diketo-1-methyl-2,1-benzothiazol-3-yl]propionitrile Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(S1(=O)=O)(CCC#N)CCC#N

Isomeric SMILES

CN1C2=CC=CC=C2C(S1(=O)=O)(CCC#N)CCC#N

InChI

InChI=1S/C14H15N3O2S/c1-17-13-7-3-2-6-12(13)14(8-4-10-15,9-5-11-16)20(17,18)19/h2-3,6-7H,4-5,8-9H2,1H3