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

Systemtic Name: 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=NC(=NN1)SCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H16N4O2S/c1-10-16-15(18-17-10)22-9-5-4-8-19-13(20)11-6-2-3-7-12(11)14(19)21/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,17,18)