2-[2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[oxo-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazinyl]methyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1C[C@@H](OC1)CN2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C23H25N3O2S/c24-16-18-6-1-3-9-21(18)29-22-10-4-2-8-20(22)23(27)26-13-11-25(12-14-26)17-19-7-5-15-28-19/h1-4,6,8-10,19H,5,7,11-15,17H2/t19-/m1/s1