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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

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