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

Systemtic Name: N-(2-cyanoethyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-furylmethyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[1-(2,3-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=C(C(=CC=C1)N2C=CN=C2SCC(=O)N(CCC#N)CC3=CC=CO3)C

Isomeric SMILES

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

InChI

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