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

Systemtic Name: N-[[4-ethyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-ethyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-ethyl-5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-ethyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide 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-])CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H21N5O4S/c1-3-25-19(12-22-20(28)16-8-4-6-14(2)10-16)23-24-21(25)31-13-18(27)15-7-5-9-17(11-15)26(29)30/h4-11H,3,12-13H2,1-2H3,(H,22,28)