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

Systemtic Name: 2-[4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butyl]isoindoline-1,3-quinone Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5

InChI

InChI=1S/C21H20N4O2S2/c26-19-15-6-1-2-7-16(15)20(27)24(19)11-3-4-12-29-21-23-22-18(17-8-5-13-28-17)25(21)14-9-10-14/h1-2,5-8,13-14H,3-4,9-12H2