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

Systemtic Name: 2-[5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-quinone Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

C=CCN1C(=NNC1=S)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C22H22N4O2S/c1-2-13-25-18(23-24-22(25)29)12-4-3-5-14-26-20(27)16-10-6-8-15-9-7-11-17(19(15)16)21(26)28/h2,6-11H,1,3-5,12-14H2,(H,24,29)