2-[4-(5-methyl-3-sulfanyl-thiophen-2-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(5-methyl-3-sulfanyl-thiophen-2-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(5-methyl-3-sulfanyl-2-thienyl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(3-mercapto-5-methyl-2-thiophenyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(5-methyl-3-sulfanylthiophen-2-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(3-mercapto-5-methyl-2-thienyl)butyl]isoindoline-1,3-quinone Formula: C17H17NO2S2 MolecularWeight: 331.45238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)CCCCN2C(=O)C3=CC=CC=C3C2=O)S

Isomeric SMILES

CC1=CC(=C(S1)CCCCN2C(=O)C3=CC=CC=C3C2=O)S

InChI

InChI=1S/C17H17NO2S2/c1-11-10-14(21)15(22-11)8-4-5-9-18-16(19)12-6-2-3-7-13(12)17(18)20/h2-3,6-7,10,21H,4-5,8-9H2,1H3