2-[4-azanyl-2-methyl-3-(sulfanylmethyl)phenyl]-5-chloranyl-isoindole-1,3-dione

Systemtic Name: 2-[4-azanyl-2-methyl-3-(sulfanylmethyl)phenyl]-5-chloranyl-isoindole-1,3-dione Openeye Name: 2-[4-amino-2-methyl-3-(sulfanylmethyl)phenyl]-5-chloro-isoindoline-1,3-dione CAS Name: 2-[4-amino-3-(mercaptomethyl)-2-methylphenyl]-5-chloroisoindole-1,3-dione IUPAC Name: 2-[4-amino-2-methyl-3-(sulfanylmethyl)phenyl]-5-chloroisoindole-1,3-dione Traditional Name: 2-[4-amino-3-(mercaptomethyl)-2-methyl-phenyl]-5-chloro-isoindoline-1,3-quinone Formula: C16H13ClN2O2S MolecularWeight: 332.80462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1CS)N)N2C(=O)C3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1CS)N)N2C(=O)C3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2O2S/c1-8-12(7-22)13(18)4-5-14(8)19-15(20)10-3-2-9(17)6-11(10)16(19)21/h2-6,22H,7,18H2,1H3