2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CCOC)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CCOC)C3=CC=NC=C3

InChI

InChI=1S/C19H20N6O4S/c1-13-4-3-5-15(25(27)28)17(13)21-16(26)12-30-19-23-22-18(24(19)10-11-29-2)14-6-8-20-9-7-14/h3-9H,10-12H2,1-2H3,(H,21,26)