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

Systemtic Name: 2-[4-ethyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-ethyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(o-tolyl)acetamide CAS Name: 2-[4-ethyl-5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-ethyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[4-ethyl-5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]-N-(o-tolyl)acetamide 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-])CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3C

InChI

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