5-chloranyl-2-(4-isothiocyanato-2-methyl-phenyl)isoindole-1,3-dione

Systemtic Name: 5-chloranyl-2-(4-isothiocyanato-2-methyl-phenyl)isoindole-1,3-dione Openeye Name: 5-chloro-2-(4-isothiocyanato-2-methyl-phenyl)isoindoline-1,3-dione CAS Name: 5-chloro-2-(4-isothiocyanato-2-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-chloro-2-(4-isothiocyanato-2-methylphenyl)isoindole-1,3-dione Traditional Name: 5-chloro-2-(4-isothiocyanato-2-methyl-phenyl)isoindoline-1,3-quinone Formula: C16H9ClN2O2S MolecularWeight: 328.77286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=C=S)N2C(=O)C3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N=C=S)N2C(=O)C3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C16H9ClN2O2S/c1-9-6-11(18-8-22)3-5-14(9)19-15(20)12-4-2-10(17)7-13(12)16(19)21/h2-7H,1H3