(E)-but-2-enedioic acid; 1-(2-diethylaminoethyl)-2-ethylsulfanyl-5-oxidanylidene-4,4-dipyridin-2-yl-pyrrole-3-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-diethylaminoethyl)-2-ethylsulfanyl-5-oxidanylidene-4,4-dipyridin-2-yl-pyrrole-3-carbonitrile Openeye Name: 1-(2-diethylaminoethyl)-2-ethylsulfanyl-5-oxo-4,4-bis(2-pyridyl)pyrrole-3-carbonitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(2-diethylaminoethyl)-2-(ethylthio)-5-oxo-4,4-bis(2-pyridinyl)-3-pyrrolecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 1-(2-diethylaminoethyl)-2-ethylsulfanyl-5-oxo-4,4-dipyridin-2-ylpyrrole-3-carbonitrile Traditional Name: 1-(2-diethylaminoethyl)-2-(ethylthio)-5-keto-4,4-bis(2-pyridyl)-2-pyrroline-3-carbonitrile; fumaric acid Formula: C27H31N5O5S MolecularWeight: 537.63054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=C(C(C1=O)(C2=CC=CC=N2)C3=CC=CC=N3)C#N)SCC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C(=C(C(C1=O)(C2=CC=CC=N2)C3=CC=CC=N3)C#N)SCC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H27N5OS.C4H4O4/c1-4-27(5-2)15-16-28-21(30-6-3)18(17-24)23(22(28)29,19-11-7-9-13-25-19)20-12-8-10-14-26-20;5-3(6)1-2-4(7)8/h7-14H,4-6,15-16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+