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

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[(4-phenyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[[4-phenyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[[4-phenyl-5-(2-quinolinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-[(4-phenyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-[[4-phenyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H20N6O3S MolecularWeight: 496.5404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H20N6O3S/c1-17-11-13-20(32(34)35)15-23(17)28-24(33)16-36-26-30-29-25(31(26)19-8-3-2-4-9-19)22-14-12-18-7-5-6-10-21(18)27-22/h2-15H,16H2,1H3,(H,28,33)