N-tert-butyl-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3S/c1-5-20-14(11-7-6-8-12(9-11)21(23)24)18-19-15(20)25-10-13(22)17-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,22)