2-[[4-(2-methylpropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)butanamide

Systemtic Name: 2-[[4-(2-methylpropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)butanamide Openeye Name: 2-[(4-isobutyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide CAS Name: 2-[[4-(2-methylpropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)butanamide IUPAC Name: 2-[[4-(2-methylpropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)butanamide Traditional Name: 2-[(4-isobutyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)butyramide Formula: C22H25N5O3S MolecularWeight: 439.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O3S/c1-4-19(21(28)23-17-10-12-18(13-11-17)27(29)30)31-22-25-24-20(26(22)14-15(2)3)16-8-6-5-7-9-16/h5-13,15,19H,4,14H2,1-3H3,(H,23,28)