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

Systemtic Name: 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CN=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CN=CC=C4

InChI

InChI=1S/C17H13N5O2S/c1-21-14(11-5-4-8-18-9-11)19-20-17(21)25-10-22-15(23)12-6-2-3-7-13(12)16(22)24/h2-9H,10H2,1H3