N-(2,4-dimethyl-6-nitro-phenyl)-2-[(5-quinolin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-[(5-quinolin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-[[5-(2-quinolyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: N-(2,4-dimethyl-6-nitrophenyl)-2-[[5-(2-quinolinyl)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-(2,4-dimethyl-6-nitrophenyl)-2-[(5-quinolin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-[[5-(2-quinolyl)-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C21H17N5O3S2 MolecularWeight: 451.52138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(S2)C3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(S2)C3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C21H17N5O3S2/c1-12-9-13(2)19(17(10-12)26(28)29)23-18(27)11-30-21-25-24-20(31-21)16-8-7-14-5-3-4-6-15(14)22-16/h3-10H,11H2,1-2H3,(H,23,27)