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

Systemtic Name: 2-[3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propyl]isoindoline-1,3-quinone Formula: C17H14N4O2S2 MolecularWeight: 370.44866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C17H14N4O2S2/c22-15-11-5-1-2-6-12(11)16(23)21(15)8-4-10-25-17-18-14(19-20-17)13-7-3-9-24-13/h1-3,5-7,9H,4,8,10H2,(H,18,19,20)