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

Systemtic Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N5O4S/c1-4-16-7-10-18(11-8-16)31-13-20-24-25-22(26(20)5-2)32-14-21(28)23-19-12-17(27(29)30)9-6-15(19)3/h6-12H,4-5,13-14H2,1-3H3,(H,23,28)