N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC)CC4=CC=CO4)C

InChI

InChI=1S/C22H21N5O3S/c1-13-14(2)27(11-16-5-4-8-30-16)21(17(13)10-23)26-20(28)12-31-22-24-18-7-6-15(29-3)9-19(18)25-22/h4-9H,11-12H2,1-3H3,(H,24,25)(H,26,28)