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

Systemtic Name: 2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C18H17N5O3S MolecularWeight: 383.42428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c24-16(19-11-10-13-4-2-1-3-5-13)12-27-18-20-17(21-22-18)14-6-8-15(9-7-14)23(25)26/h1-9H,10-12H2,(H,19,24)(H,20,21,22)