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

Systemtic Name: 7-(4-fluorophenyl)sulfanyl-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(4-fluorophenyl)sulfanyl-2-isopropyl-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-[(4-fluorophenyl)thio]-2-phenyl-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(4-fluorophenyl)sulfanyl-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-[(4-fluorophenyl)thio]-2-isopropyl-2-phenyl-6-piperazino-enanthonitrile Formula: C26H34FN3S MolecularWeight: 439.631663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(CSC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(CSC1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C26H34FN3S/c1-21(2)26(20-28,22-7-4-3-5-8-22)14-6-9-24(30-17-15-29-16-18-30)19-31-25-12-10-23(27)11-13-25/h3-5,7-8,10-13,21,24,29H,6,9,14-19H2,1-2H3