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

Systemtic Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C19H19N5O3S MolecularWeight: 397.45086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c1-2-12-20-17(25)13-28-19-22-21-18(23(19)15-6-4-3-5-7-15)14-8-10-16(11-9-14)24(26)27/h3-11H,2,12-13H2,1H3,(H,20,25)