4-[4-(2-oxidanyl-3-sulfanyl-propyl)piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(2-oxidanyl-3-sulfanyl-propyl)piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(2-hydroxy-3-sulfanyl-propyl)piperazin-1-yl]-1-phenyl-cyclohexanecarbonitrile CAS Name: 4-[4-(2-hydroxy-3-mercaptopropyl)-1-piperazinyl]-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(2-hydroxy-3-sulfanylpropyl)piperazin-1-yl]-1-phenylcyclohexane-1-carbonitrile Traditional Name: 4-[4-(2-hydroxy-3-mercapto-propyl)piperazino]-1-phenyl-cyclohexanecarbonitrile Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)CC(CS)O)(C#N)C3=CC=CC=C3

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)CC(CS)O)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H29N3OS/c21-16-20(17-4-2-1-3-5-17)8-6-18(7-9-20)23-12-10-22(11-13-23)14-19(24)15-25/h1-5,18-19,24-25H,6-15H2