2-[[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-1-phenylethanone IUPAC Name: 2-[[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-1-phenyl-ethanone Formula: C25H19N5O5S MolecularWeight: 501.51386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=NC(=NN3C(=N2)SCC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=NC(=NN3C(=N2)SCC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C25H19N5O5S/c1-34-21-12-18-19(13-22(21)35-2)26-25(36-14-20(31)15-6-4-3-5-7-15)29-24(18)27-23(28-29)16-8-10-17(11-9-16)30(32)33/h3-13H,14H2,1-2H3