N-(4-methoxy-2-nitro-phenyl)-2-[(4-phenyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[(4-phenyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[[4-phenyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[[4-phenyl-5-(2-quinolinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[(4-phenyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[[4-phenyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H20N6O4S MolecularWeight: 512.5398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H20N6O4S/c1-36-19-12-14-21(23(15-19)32(34)35)28-24(33)16-37-26-30-29-25(31(26)18-8-3-2-4-9-18)22-13-11-17-7-5-6-10-20(17)27-22/h2-15H,16H2,1H3,(H,28,33)