4-butyl-5-(4-methoxyphenyl)sulfanyl-isoindole-1,3-dione

Systemtic Name: 4-butyl-5-(4-methoxyphenyl)sulfanyl-isoindole-1,3-dione Openeye Name: 4-butyl-5-(4-methoxyphenyl)sulfanyl-isoindoline-1,3-dione CAS Name: 4-butyl-5-[(4-methoxyphenyl)thio]isoindole-1,3-dione IUPAC Name: 4-butyl-5-(4-methoxyphenyl)sulfanylisoindole-1,3-dione Traditional Name: 4-butyl-5-[(4-methoxyphenyl)thio]isoindoline-1,3-quinone Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1C(=O)NC2=O)SC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC1=C(C=CC2=C1C(=O)NC2=O)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H19NO3S/c1-3-4-5-14-16(24-13-8-6-12(23-2)7-9-13)11-10-15-17(14)19(22)20-18(15)21/h6-11H,3-5H2,1-2H3,(H,20,21,22)