N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]benzamide

Systemtic Name: N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]benzamide Openeye Name: N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]benzamide CAS Name: N-[1-[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]-2-hydroxyethyl]benzamide IUPAC Name: N-[1-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]benzamide Traditional Name: N-[1-[4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]benzamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(CO)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(CO)NC(=O)C3=CC=CC=C3

InChI

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