2-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-quinone Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=NC=NN4

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=NC=NN4

InChI

InChI=1S/C17H14N4O2S/c22-15-12-6-1-4-11-5-2-7-13(14(11)12)16(23)21(15)8-3-9-24-17-18-10-19-20-17/h1-2,4-7,10H,3,8-9H2,(H,18,19,20)