N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]-2-(2-quinolylthio)acetamide Formula: C23H20N4OS2 MolecularWeight: 432.5611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C=C2)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C=C2)CC4=CC=CS4)C

InChI

InChI=1S/C23H20N4OS2/c1-15-16(2)27(13-18-7-5-11-29-18)23(19(15)12-24)26-21(28)14-30-22-10-9-17-6-3-4-8-20(17)25-22/h3-11H,13-14H2,1-2H3,(H,26,28)