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

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3S/c1-4-24-19(15-8-6-5-7-9-15)22-23-20(24)29-12-18(26)21-16-10-13(2)14(3)11-17(16)25(27)28/h5-11H,4,12H2,1-3H3,(H,21,26)