1,1-bis(oxidanylidene)-2-(phenylsulfanylmethyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-(phenylsulfanylmethyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-(phenylsulfanylmethyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[(phenylthio)methyl]-4,5,6,7-tetrahydro-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-(phenylsulfanylmethyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[(phenylthio)methyl]-4,5,6,7-tetrahydro-1,2-benzothiazol-3-one Formula: C14H15NO3S2 MolecularWeight: 309.4038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N(S2(=O)=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C(=O)N(S2(=O)=O)CSC3=CC=CC=C3

InChI

InChI=1S/C14H15NO3S2/c16-14-12-8-4-5-9-13(12)20(17,18)15(14)10-19-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2