2-(1,3-diphenylprop-2-ynyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-(1,3-diphenylprop-2-ynyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-(1,3-diphenylprop-2-ynyl)-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-(1,3-diphenylprop-2-ynyl)-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-(1,3-diphenylprop-2-ynyl)-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-(1,3-diphenylprop-2-ynyl)-1,1-diketo-1,2-benzothiazol-3-one Formula: C22H15NO3S MolecularWeight: 373.4244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H15NO3S/c24-22-19-13-7-8-14-21(19)27(25,26)23(22)20(18-11-5-2-6-12-18)16-15-17-9-3-1-4-10-17/h1-14,20H