N1'-(1-cyanoethyl)-5-ethyl-6-methylsulfanyl-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide

Systemtic Name: N1'-(1-cyanoethyl)-5-ethyl-6-methylsulfanyl-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide Openeye Name: N1'-(1-cyanoethyl)-5-ethyl-6-methylsulfanyl-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide CAS Name: N1'-(1-cyanoethyl)-5-ethyl-6-(methylthio)-6-nitrocyclohexa-2,4-diene-1,1-dicarboxamide IUPAC Name: 1-N'-(1-cyanoethyl)-5-ethyl-6-methylsulfanyl-6-nitrocyclohexa-2,4-diene-1,1-dicarboxamide Traditional Name: N'-(1-cyanoethyl)-5-ethyl-6-(methylthio)-6-nitro-cyclohexa-2,4-diene-1,1-dicarboxamide Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(C1([N+](=O)[O-])SC)(C(=O)N)C(=O)NC(C)C#N

Isomeric SMILES

CCC1=CC=CC(C1([N+](=O)[O-])SC)(C(=O)N)C(=O)NC(C)C#N

InChI

InChI=1S/C14H18N4O4S/c1-4-10-6-5-7-13(11(16)19,12(20)17-9(2)8-15)14(10,23-3)18(21)22/h5-7,9H,4H2,1-3H3,(H2,16,19)(H,17,20)