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

Systemtic Name: 2-[4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butyl]isoindoline-1,3-quinone Formula: C19H18N4O2S2 MolecularWeight: 398.50182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

InChI

InChI=1S/C19H18N4O2S2/c1-22-16(15-9-6-12-26-15)20-21-19(22)27-11-5-4-10-23-17(24)13-7-2-3-8-14(13)18(23)25/h2-3,6-9,12H,4-5,10-11H2,1H3