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

Systemtic Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C19H18N6O6S MolecularWeight: 458.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O6S/c1-3-23-18(12-4-6-13(7-5-12)24(27)28)21-22-19(23)32-11-17(26)20-15-9-8-14(31-2)10-16(15)25(29)30/h4-10H,3,11H2,1-2H3,(H,20,26)