N,N-bis(2-cyanoethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N(CCC#N)CCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N(CCC#N)CCC#N)C

InChI

InChI=1S/C19H21N5OS/c1-15-11-16(2)13-17(12-15)24-10-7-22-19(24)26-14-18(25)23(8-3-5-20)9-4-6-21/h7,10-13H,3-4,8-9,14H2,1-2H3