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

Systemtic Name: 2-[[4-ethyl-5-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[4-ethyl-5-(1-ethyl-4-pyrazolyl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C17H19N7O3S MolecularWeight: 401.44286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NN=C(N2CC)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)C2=NN=C(N2CC)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O3S/c1-3-22-10-12(9-18-22)16-20-21-17(23(16)4-2)28-11-15(25)19-13-6-5-7-14(8-13)24(26)27/h5-10H,3-4,11H2,1-2H3,(H,19,25)