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

Systemtic Name: 2-methyl-4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Openeye Name: 2-methyl-4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carbonitrile CAS Name: 2-methyl-4-[3-[[4-(2-methyl-1-imidazolyl)phenyl]thio]phenyl]-4-oxanecarbonitrile IUPAC Name: 2-methyl-4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Traditional Name: 2-methyl-4-[3-[[4-(2-methylimidazol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carbonitrile Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCO1)(C#N)C2=CC(=CC=C2)SC3=CC=C(C=C3)N4C=CN=C4C

Isomeric SMILES

CC1CC(CCO1)(C#N)C2=CC(=CC=C2)SC3=CC=C(C=C3)N4C=CN=C4C

InChI

InChI=1S/C23H23N3OS/c1-17-15-23(16-24,10-13-27-17)19-4-3-5-22(14-19)28-21-8-6-20(7-9-21)26-12-11-25-18(26)2/h3-9,11-12,14,17H,10,13,15H2,1-2H3