2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C16H10N4O4S MolecularWeight: 354.34

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

Isomeric SMILES

CCC1=NN=C(S1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

InChI

InChI=1S/C16H10N4O4S/c1-2-12-17-18-16(25-12)19-14(21)9-5-3-4-8-11(20(23)24)7-6-10(13(8)9)15(19)22/h3-7H,2H2,1H3