1,1-bis(oxidanylidene)-2-[1-(phenylsulfinyl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[1-(phenylsulfinyl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl]-1,2-benzothiazol-3-one Openeye Name: 2-[1-(benzenesulfinyl)-3-(1-phenyltetrazol-5-yl)sulfanyl-propyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[1-(benzenesulfinyl)-3-[(1-phenyl-5-tetrazolyl)thio]propyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[1-(benzenesulfinyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[1-(benzenesulfinyl)-3-[(1-phenyltetrazol-5-yl)thio]propyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C23H19N5O4S3 MolecularWeight: 525.62306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCC(N3C(=O)C4=CC=CC=C4S3(=O)=O)S(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCC(N3C(=O)C4=CC=CC=C4S3(=O)=O)S(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H19N5O4S3/c29-22-19-13-7-8-14-20(19)35(31,32)28(22)21(34(30)18-11-5-2-6-12-18)15-16-33-23-24-25-26-27(23)17-9-3-1-4-10-17/h1-14,21H,15-16H2