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

Systemtic Name: 2-[5-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[5-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[5-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[5-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[5-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)CCCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)CCCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C25H22N4O2S/c30-23-19-13-7-9-17-10-8-14-20(22(17)19)24(31)28(23)16-6-2-5-15-21-26-27-25(32)29(21)18-11-3-1-4-12-18/h1,3-4,7-14H,2,5-6,15-16H2,(H,27,32)