4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile

Systemtic Name: 4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Openeye Name: 4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carbonitrile CAS Name: 4-[3-[[4-(2-methyl-1-imidazolyl)phenyl]thio]phenyl]-4-oxanecarbonitrile IUPAC Name: 4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Traditional Name: 4-[3-[[4-(2-methylimidazol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carbonitrile Formula: C22H21N3OS MolecularWeight: 375.48664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C#N

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C#N

InChI

InChI=1S/C22H21N3OS/c1-17-24-11-12-25(17)19-5-7-20(8-6-19)27-21-4-2-3-18(15-21)22(16-23)9-13-26-14-10-22/h2-8,11-12,15H,9-10,13-14H2,1H3