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

Systemtic Name: 2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H19N5O3S/c27-18-16-8-4-5-9-17(16)19(28)25(18)14-30-21-23-22-20(24-10-12-29-13-11-24)26(21)15-6-2-1-3-7-15/h1-9H,10-14H2