2-[2-(4-methylphenyl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(4-methylphenyl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[2-(p-tolylsulfanyl)ethyl]-1,2-benzothiazol-3-one CAS Name: 2-[2-[(4-methylphenyl)thio]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(4-methylphenyl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-(p-tolylthio)ethyl]-1,2-benzothiazol-3-one Formula: C16H15NO3S2 MolecularWeight: 333.4252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C16H15NO3S2/c1-12-6-8-13(9-7-12)21-11-10-17-16(18)14-4-2-3-5-15(14)22(17,19)20/h2-9H,10-11H2,1H3