(E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-propenamide IUPAC Name: (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]acrylamide Formula: C18H23N5OS2 MolecularWeight: 389.53812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=NN=C(S2)SCC)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=NN=C(S2)SCC)C

InChI

InChI=1S/C18H23N5OS2/c1-5-7-8-23-12(3)9-14(13(23)4)10-15(11-19)16(24)20-17-21-22-18(26-17)25-6-2/h9-10H,5-8H2,1-4H3,(H,20,21,24)/b15-10+