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

Systemtic Name: 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=CN3CCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=CN3CCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c1-14-8-9-16(17(12-14)25(27)28)22-19(26)18(15-6-4-3-5-7-15)30-20-23-21-13-24(20)10-11-29-2/h3-9,12-13,18H,10-11H2,1-2H3,(H,22,26)