2-[2-(2-oxidanylidenepropylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-(2-oxidanylidenepropylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-(2-acetonylsulfanyl-1,3-benzothiazol-6-yl)isoindoline-1,3-dione CAS Name: 2-[2-(2-oxopropylthio)-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-(2-oxopropylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-(acetonylthio)-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C18H12N2O3S2 MolecularWeight: 368.42948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)CSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H12N2O3S2/c1-10(21)9-24-18-19-14-7-6-11(8-15(14)25-18)20-16(22)12-4-2-3-5-13(12)17(20)23/h2-8H,9H2,1H3