(E)-3-(5-butyl-4-propyl-1H-pyrrol-2-yl)-2-cyano-3-ethylsulfanyl-prop-2-enamide

Systemtic Name: (E)-3-(5-butyl-4-propyl-1H-pyrrol-2-yl)-2-cyano-3-ethylsulfanyl-prop-2-enamide Openeye Name: (E)-3-(5-butyl-4-propyl-1H-pyrrol-2-yl)-2-cyano-3-ethylsulfanyl-prop-2-enamide CAS Name: (E)-3-(5-butyl-4-propyl-1H-pyrrol-2-yl)-2-cyano-3-(ethylthio)-2-propenamide IUPAC Name: (E)-3-(5-butyl-4-propyl-1H-pyrrol-2-yl)-2-cyano-3-ethylsulfanylprop-2-enamide Traditional Name: (E)-3-(5-butyl-4-propyl-1H-pyrrol-2-yl)-2-cyano-3-(ethylthio)acrylamide Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(N1)C(=C(C#N)C(=O)N)SCC)CCC

Isomeric SMILES

CCCCC1=C(C=C(N1)/C(=C(/C#N)\C(=O)N)/SCC)CCC

InChI

InChI=1S/C17H25N3OS/c1-4-7-9-14-12(8-5-2)10-15(20-14)16(22-6-3)13(11-18)17(19)21/h10,20H,4-9H2,1-3H3,(H2,19,21)/b16-13+