2-[(2-azanyl-4-bromanyl-phenyl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(2-azanyl-4-bromanyl-phenyl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(2-amino-4-bromo-phenyl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(2-amino-4-bromophenyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-amino-4-bromophenyl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(2-amino-4-bromo-phenyl)thio]methyl]isoindoline-1,3-quinone Formula: C15H11BrN2O2S MolecularWeight: 363.22904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=C(C=C(C=C3)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=C(C=C(C=C3)Br)N

InChI

InChI=1S/C15H11BrN2O2S/c16-9-5-6-13(12(17)7-9)21-8-18-14(19)10-3-1-2-4-11(10)15(18)20/h1-7H,8,17H2