3-[4-ethyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide

Systemtic Name: 3-[4-ethyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide Openeye Name: 3-[4-ethyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide CAS Name: 3-[4-ethyl-5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N-phenylpropanamide IUPAC Name: 3-[4-ethyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylpropanamide Traditional Name: 3-[4-ethyl-5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]-N-phenyl-propionamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N5O4S/c1-2-25-19(11-12-20(28)22-16-8-4-3-5-9-16)23-24-21(25)31-14-18(27)15-7-6-10-17(13-15)26(29)30/h3-10,13H,2,11-12,14H2,1H3,(H,22,28)