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

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CS5

InChI

InChI=1S/C19H16N4O2S2/c24-17-14-5-1-2-6-15(14)18(25)22(17)11-27-19-21-20-16(23(19)12-7-8-12)10-13-4-3-9-26-13/h1-6,9,12H,7-8,10-11H2