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

Systemtic Name: 2-[(2-azanyl-4-methyl-phenyl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(2-amino-4-methyl-phenyl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(2-amino-4-methylphenyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-amino-4-methylphenyl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(2-amino-4-methyl-phenyl)thio]methyl]isoindoline-1,3-quinone Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCN2C(=O)C3=CC=CC=C3C2=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCN2C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C16H14N2O2S/c1-10-6-7-14(13(17)8-10)21-9-18-15(19)11-4-2-3-5-12(11)16(18)20/h2-8H,9,17H2,1H3