2-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C15H15N5O2S/c16-20-12(9-5-6-9)17-18-15(20)23-8-7-19-13(21)10-3-1-2-4-11(10)14(19)22/h1-4,9H,5-8,16H2