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

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C19H21N5O2S/c25-16-14-6-2-3-7-15(14)17(26)23(16)12-27-19-21-20-18(24(19)13-8-9-13)22-10-4-1-5-11-22/h2-3,6-7,13H,1,4-5,8-12H2