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

Systemtic Name: 2-[[4-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[[4-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[(4-ethyl-5-p-cumenyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H23N5O3S/c1-4-25-20(16-11-9-15(10-12-16)14(2)3)23-24-21(25)30-13-19(27)22-17-7-5-6-8-18(17)26(28)29/h5-12,14H,4,13H2,1-3H3,(H,22,27)