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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

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