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

Systemtic Name: 2-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C16H16N4O2S MolecularWeight: 328.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C16H16N4O2S/c1-10-17-18-16(20(10)11-6-7-11)23-9-8-19-14(21)12-4-2-3-5-13(12)15(19)22/h2-5,11H,6-9H2,1H3