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

Systemtic Name: 2-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide 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-])CC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H21N5O4S/c1-3-24-18(12-19(26)21-15-5-4-6-17(11-15)29-2)22-23-20(24)30-13-14-7-9-16(10-8-14)25(27)28/h4-11H,3,12-13H2,1-2H3,(H,21,26)