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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[(1-cyclohexyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[(1-cyclohexyltetrazol-5-yl)thio]acetamide Formula: C23H27N7OS MolecularWeight: 449.57178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=NN2C3CCCCC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=NN2C3CCCCC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H27N7OS/c1-16-17(2)29(14-18-9-5-3-6-10-18)22(20(16)13-24)25-21(31)15-32-23-26-27-28-30(23)19-11-7-4-8-12-19/h3,5-6,9-10,19H,4,7-8,11-12,14-15H2,1-2H3,(H,25,31)