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

Systemtic Name: N-(2-cyanoethyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-furylmethyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]-N-(2-furfuryl)acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)N(CCC#N)CC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)N(CCC#N)CC3=CC=CO3)C

InChI

InChI=1S/C21H22N4O2S/c1-16-6-7-19(17(2)13-16)25-11-9-23-21(25)28-15-20(26)24(10-4-8-22)14-18-5-3-12-27-18/h3,5-7,9,11-13H,4,10,14-15H2,1-2H3