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

Systemtic Name: 3-methoxy-N-[1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]benzamide Openeye Name: N-[2-hydroxy-1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-methoxy-benzamide CAS Name: N-[2-hydroxy-1-[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]-3-methoxybenzamide IUPAC Name: N-[2-hydroxy-1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-methoxybenzamide Traditional Name: N-[2-hydroxy-1-[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]ethyl]-3-methoxy-benzamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(CO)NC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(CO)NC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H21N5O5S/c1-24-18(17(11-26)21-19(27)14-4-3-5-16(10-14)30-2)22-23-20(24)31-12-13-6-8-15(9-7-13)25(28)29/h3-10,17,26H,11-12H2,1-2H3,(H,21,27)