3-chloranyl-5-[3,5-diethyl-2-(hydroxymethyl)imidazol-4-yl]sulfanyl-benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-[3,5-diethyl-2-(hydroxymethyl)imidazol-4-yl]sulfanyl-benzenecarbonitrile Openeye Name: 3-chloro-5-[3,5-diethyl-2-(hydroxymethyl)imidazol-4-yl]sulfanyl-benzonitrile CAS Name: 3-chloro-5-[[3,5-diethyl-2-(hydroxymethyl)-4-imidazolyl]thio]benzonitrile IUPAC Name: 3-chloro-5-[3,5-diethyl-2-(hydroxymethyl)imidazol-4-yl]sulfanylbenzonitrile Traditional Name: 3-chloro-5-[(3,5-diethyl-2-methylol-imidazol-4-yl)thio]benzonitrile Formula: C15H16ClN3OS MolecularWeight: 321.82504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=N1)CO)CC)SC2=CC(=CC(=C2)C#N)Cl

Isomeric SMILES

CCC1=C(N(C(=N1)CO)CC)SC2=CC(=CC(=C2)C#N)Cl

InChI

InChI=1S/C15H16ClN3OS/c1-3-13-15(19(4-2)14(9-20)18-13)21-12-6-10(8-17)5-11(16)7-12/h5-7,20H,3-4,9H2,1-2H3