7-(4-methylsulfanylphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-(4-methylsulfanylphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 2-isopropyl-7-(4-methylsulfanylphenoxy)-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-[4-(methylthio)phenoxy]-2-phenyl-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(4-methylsulfanylphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 2-isopropyl-7-[4-(methylthio)phenoxy]-2-phenyl-6-piperazino-enanthonitrile Formula: C27H37N3OS MolecularWeight: 451.66718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=C(C=C1)SC)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=C(C=C1)SC)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H37N3OS/c1-22(2)27(21-28,23-8-5-4-6-9-23)15-7-10-24(30-18-16-29-17-19-30)20-31-25-11-13-26(32-3)14-12-25/h4-6,8-9,11-14,22,24,29H,7,10,15-20H2,1-3H3