N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-2-pyrrolyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=CN2C)CCCOC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=CN2C)CCCOC)C

InChI

InChI=1S/C17H23N5O2S/c1-12-13(2)22(7-5-9-24-4)16(14(12)10-18)20-15(23)11-25-17-19-6-8-21(17)3/h6,8H,5,7,9,11H2,1-4H3,(H,20,23)