[4-[2-[4-(4-cyano-4-phenyl-cyclohexyl)piperazin-1-yl]ethoxy]phenyl] thiohypochlorite

Systemtic Name: [4-[2-[4-(4-cyano-4-phenyl-cyclohexyl)piperazin-1-yl]ethoxy]phenyl] thiohypochlorite Openeye Name: [4-[2-[4-(4-cyano-4-phenyl-cyclohexyl)piperazin-1-yl]ethoxy]phenyl] thiohypochlorite CAS Name: thiohypochlorous acid [4-[2-[4-(4-cyano-4-phenylcyclohexyl)-1-piperazinyl]ethoxy]phenyl] ester IUPAC Name: [4-[2-[4-(4-cyano-4-phenylcyclohexyl)piperazin-1-yl]ethoxy]phenyl] thiohypochlorite Traditional Name: thiohypochlorous acid [4-[2-[4-(4-cyano-4-phenyl-cyclohexyl)piperazino]ethoxy]phenyl] ester Formula: C25H30ClN3OS MolecularWeight: 456.0432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)CCOC3=CC=C(C=C3)SCl)(C#N)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)CCOC3=CC=C(C=C3)SCl)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H30ClN3OS/c26-31-24-8-6-23(7-9-24)30-19-18-28-14-16-29(17-15-28)22-10-12-25(20-27,13-11-22)21-4-2-1-3-5-21/h1-9,22H,10-19H2