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

Systemtic Name: 2-[3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-quinone Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C23H18N4O2S/c28-21-17-11-4-7-15-8-5-12-18(20(15)17)22(29)26(21)14-6-13-19-24-25-23(30)27(19)16-9-2-1-3-10-16/h1-5,7-12H,6,13-14H2,(H,25,30)