N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H28N6OS MolecularWeight: 400.54092

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)NC2=C(C(=C(N2C3CCCCC3)C)C)C#N

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)NC2=C(C(=C(N2C3CCCCC3)C)C)C#N

InChI

InChI=1S/C20H28N6OS/c1-4-8-17-22-20(25-24-17)28-12-18(27)23-19-16(11-21)13(2)14(3)26(19)15-9-6-5-7-10-15/h15H,4-10,12H2,1-3H3,(H,23,27)(H,22,24,25)