N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide

Systemtic Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide Openeye Name: 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide IUPAC Name: 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-[(1-benzyltetrazol-5-yl)thio]-N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C23H20FN7OS MolecularWeight: 461.514603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=NN2CC3=CC=CC=C3)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=NN2CC3=CC=CC=C3)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C23H20FN7OS/c1-15-16(2)31(19-10-6-9-18(24)11-19)22(20(15)12-25)26-21(32)14-33-23-27-28-29-30(23)13-17-7-4-3-5-8-17/h3-11H,13-14H2,1-2H3,(H,26,32)