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

Systemtic Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]acrylamide Formula: C20H25N5OS2 MolecularWeight: 415.5754

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C(=CC2=C(N(C(=C2)C)C3CCCCC3)C)C#N

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)/C(=C/C2=C(N(C(=C2)C)C3CCCCC3)C)/C#N

InChI

InChI=1S/C20H25N5OS2/c1-4-27-20-24-23-19(28-20)22-18(26)16(12-21)11-15-10-13(2)25(14(15)3)17-8-6-5-7-9-17/h10-11,17H,4-9H2,1-3H3,(H,22,23,26)/b16-11+