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

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C(=C(N3CC4=CC=CO4)C)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C(=C(N3CC4=CC=CO4)C)C)C#N

InChI

InChI=1S/C22H21N5O2S/c1-13-6-7-18-19(9-13)25-22(24-18)30-12-20(28)26-21-17(10-23)14(2)15(3)27(21)11-16-5-4-8-29-16/h4-9H,11-12H2,1-3H3,(H,24,25)(H,26,28)