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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5

InChI

InChI=1S/C19H15N5O2S/c25-17-14-3-1-2-4-15(14)18(26)23(17)11-27-19-22-21-16(24(19)13-5-6-13)12-7-9-20-10-8-12/h1-4,7-10,13H,5-6,11H2