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

Systemtic Name: 2-[3-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-quinone Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

C=CCN1C(=NNC1=S)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C20H18N4O2S/c1-2-11-23-16(21-22-20(23)27)10-5-12-24-18(25)14-8-3-6-13-7-4-9-15(17(13)14)19(24)26/h2-4,6-9H,1,5,10-12H2,(H,22,27)