N-[4-(cyanomethyl)phenyl]-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[[4,5-bis(2-thienyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]acetamide Traditional Name: 2-[[4,5-bis(2-thienyl)-1H-imidazol-2-yl]thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C21H16N4OS3 MolecularWeight: 436.57294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(N=C(N2)SCC(=O)NC3=CC=C(C=C3)CC#N)C4=CC=CS4

Isomeric SMILES

C1=CSC(=C1)C2=C(N=C(N2)SCC(=O)NC3=CC=C(C=C3)CC#N)C4=CC=CS4

InChI

InChI=1S/C21H16N4OS3/c22-10-9-14-5-7-15(8-6-14)23-18(26)13-29-21-24-19(16-3-1-11-27-16)20(25-21)17-4-2-12-28-17/h1-8,11-12H,9,13H2,(H,23,26)(H,24,25)