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

Systemtic Name: 2-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

InChI

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