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

Systemtic Name: 3-[4-methyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide Openeye Name: 3-[4-methyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide CAS Name: 3-[4-methyl-5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N-phenylpropanamide IUPAC Name: 3-[4-methyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylpropanamide Traditional Name: 3-[5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-propionamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H19N5O4S/c1-24-18(10-11-19(27)21-15-7-3-2-4-8-15)22-23-20(24)30-13-17(26)14-6-5-9-16(12-14)25(28)29/h2-9,12H,10-11,13H2,1H3,(H,21,27)