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

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-[(1-cyclohexyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(1-cyclohexyltetrazol-5-yl)thio]acetamide Formula: C22H25N7OS MolecularWeight: 435.5452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N7OS/c1-15-16(2)28(17-9-5-3-6-10-17)21(19(15)13-23)24-20(30)14-31-22-25-26-27-29(22)18-11-7-4-8-12-18/h3,5-6,9-10,18H,4,7-8,11-12,14H2,1-2H3,(H,24,30)