N,N-bis(2-cyanoethyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]acetamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5OS/c1-15-5-6-17(13-16(15)2)24-12-9-22-19(24)26-14-18(25)23(10-3-7-20)11-4-8-21/h5-6,9,12-13H,3-4,10-11,14H2,1-2H3